6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile

Modify Date: 2025-08-27 10:54:22

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure
6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile structure
Common Name 6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile
CAS Number 70638-54-9 Molecular Weight 259.28400
Density N/A Boiling Point N/A
Molecular Formula C12H9N3O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C12H9N3O2S
Molecular Weight 259.28400
Exact Mass 259.04200
PSA 117.83000
LogP 2.01818
InChIKey PXEWDUZAXRERFW-UHFFFAOYSA-N
SMILES COc1ccc(-c2[nH]c(=S)[nH]c(=O)c2C#N)cc1

 Safety Information

HS Code 2933599090

 Synthetic Route

~50%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: Ramiz, Mahmoud M. M.; El-Sayed, Wael A.; Hagag, Ezzat; Abdel-Rahman, Adel A.-H. Journal of Heterocyclic Chemistry, 2011 , vol. 48, # 5 p. 1028 - 1038

~26%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: Abdel-Mohsen, Heba T.; Conrad, Juergen; Beifuss, Uwe Journal of Organic Chemistry, 2013 , vol. 78, # 16 p. 7986 - 8003

~44%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: Navio, Jose L. Garcia; Lorente, Antonio; Soto, Jose L. Heterocycles, 1982 , vol. 19, # 2 p. 305 - 311

~%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: Navio, Jose L. Garcia; Lorente, Antonio; Soto, Jose L. Heterocycles, 1982 , vol. 19, # 2 p. 305 - 311

~%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: El-Agrody, Ahmed M.; Ali, Fawzy M.; Eid, Fathy A.; El-Nassag, Mohammed A. A.; El-Sherbeny, Gamal; Bedair, Ahmed H. Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 4 p. 839 - 864

~%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: Khodair; Ibrahim; El Ashry Nucleosides and Nucleotides, 1997 , vol. 16, # 4 p. 433 - 444

~%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: El-Agrody, Ahmed M.; Ali, Fawzy M.; Eid, Fathy A.; El-Nassag, Mohammed A. A.; El-Sherbeny, Gamal; Bedair, Ahmed H. Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 4 p. 839 - 864

~%

6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidin ecarbonitrile Structure

6-(4-Methoxyphe...

CAS#:70638-54-9

Literature: El-Agrody, Ahmed M.; Ali, Fawzy M.; Eid, Fathy A.; El-Nassag, Mohammed A. A.; El-Sherbeny, Gamal; Bedair, Ahmed H. Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 4 p. 839 - 864

 Customs

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%

 Bioassay

View more

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
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
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

5-cyano-4-methylthiophen-2-yl-2-boronic acid
5-cyano-6-(4-methoxyphenyl)-2-thiouracil
5-cyano-6-(p-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine
5-cyano-4-methylthiophene-2-boronic acid
5-cyano-4-oxo-6-(4-methoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine
5-cyano-6-(4-methoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one
5-Cyano-6-(p-anisyl)-2-thiouracil
6-(4-methoxy-phenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile
1,2,3,4-tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile
5-cyano-4-methylthiophen-2-ylboronic acid
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