5-nitropyrimidine-4,6-diol
5-nitropyrimidine-4,6-diol structure
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Common Name | 5-nitropyrimidine-4,6-diol | ||
|---|---|---|---|---|
| CAS Number | 2164-83-2 | Molecular Weight | 157.084 | |
| Density | 1.9±0.1 g/cm3 | Boiling Point | 303.5±37.0 °C at 760 mmHg | |
| Molecular Formula | C4H3N3O4 | Melting Point | >300 °C(lit.) | |
| MSDS | USA | Flash Point | 137.4±26.5 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-hydroxy-5-nitro-1H-pyrimidin-6-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 303.5±37.0 °C at 760 mmHg |
| Melting Point | >300 °C(lit.) |
| Molecular Formula | C4H3N3O4 |
| Molecular Weight | 157.084 |
| Flash Point | 137.4±26.5 °C |
| Exact Mass | 157.012360 |
| PSA | 112.06000 |
| LogP | -0.73 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.701 |
| InChIKey | ABTLZAVJDRUDNG-UHFFFAOYSA-N |
| SMILES | O=c1[nH]cnc(O)c1[N+](=O)[O-] |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~72%
5-nitropyrimidi... CAS#:2164-83-2 |
| Literature: Latli, Bachir; Jones, Paul-James; Krishnamurthy, Dhileepkumar; Senanayake, Chris H. Journal of Labelled Compounds and Radiopharmaceuticals, 2008 , vol. 51, # 1 p. 54 - 58 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Phenobarbital induction and chemical synergism demonstrate the role of UDP-glucuronosyltransferases in detoxification of naphthalophos by Haemonchus contortus larvae.
Antimicrob. Agents Chemother. 58(12) , 7475-83, (2014) We used an enzyme induction approach to study the role of detoxification enzymes in the interaction of the anthelmintic compound naphthalophos with Haemonchus contortus larvae. Larvae were treated wit... |
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Inhibition of UDP-glucuronyltransferase activity in rat liver microsomes by pyrimidine derivatives.
Comp. Biochem. Physiol. C, Pharmacol. Toxicol. Endocrinol. 112(3) , 321-5, (1995) Thirty-one differently substituted pyrimidine bases were tested for their inhibitory effect on the glucuronidation of 4-nitrophenol and phenolphthalein by rat liver microsomes. 5-Nitrouracil (compound... |
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The activity of thymidine phosphorylase obtained from human uterine leiomyomas and studied in the presence of pyrimidine derivatives.
Z. Naturforsch., C, J. Biosci. 52(9-10) , 670-5, (1997) Partially purified samples of thymidine phosphorylase were obtained from four preparations of human uterine leiomyomas and uteri using the method of Yoshimura et al. (1990), Biochim. Biophys. Acta 103... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-Hydroxy-5-nitro-4(1H)-pyrimidinone |
| 5-Nitro-4,6-pyrimidinediol |
| EINECS 218-504-6 |
| 5-nitropyrimidine-4,6-diol |
| 5-nitro-1H-pyrimidine-4,6-dione |
| MFCD00006110 |
| 5-Nitro-4,6-dihydroxypyrimidine |
| 4,6-Dihydroxy-5-nitropyriMidine |
| 4,6-Dihydroxy-5-nitropyrimdine |
| 4,6-Dihydroxy-5-nitroprimidine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: Molecular formula of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is C4H3N3O4. |
| Q: What is the English name of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: The English name of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is 4-hydroxy-5-nitro-1H-pyrimidin-6-one. |
| Q: What is the boiling point of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: Boiling point of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is 303.5±37.0 °C at 760 mmHg. |
| Q: What is the molecular weight of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: Molecular weight of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is 157.084. |
| Q: What is the InChIKey of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: InChIKey of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is ABTLZAVJDRUDNG-UHFFFAOYSA-N. |
| Q: What is the CAS number of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: CAS number of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is 2164-83-2. |
| Q: What is the LogP of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: LogP of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is -0.73. |
| Q: What is the SMILES notation of 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: SMILES notation of 4-hydroxy-5-nitro-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1[N+](=O)[O-]. |
| Q: What is the safety information for 4-hydroxy-5-nitro-1H-pyrimidin-6-one? |
| A: Safety information for 4-hydroxy-5-nitro-1H-pyrimidin-6-one: S26-S37/39. |
| Q: What English synonyms does 4-hydroxy-5-nitro-1H-pyrimidin-6-one have? |
| A: English synonyms of 4-hydroxy-5-nitro-1H-pyrimidin-6-one: 6-Hydroxy-5-nitro-4(1H)-pyrimidinone, 5-Nitro-4,6-pyrimidinediol, EINECS 218-504-6, 5-nitropyrimidine-4,6-diol, 5-nitro-1H-pyrimidine-4,6-dione, MFCD00006110, 5-Nitro-4,6-dihydroxypyrimidine, 4,6-Dihydroxy-5-nitropyriMidine, 4,6-Dihydroxy-5-nitropyrimdine, 4,6-Dihydroxy-5-nitroprimidine. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |