2-(3-ethyl-4-methylanilino)-3,7-dihydropurin-6-one

Modify Date: 2026-08-02 23:52:56

2-(3-ethyl-4-methylanilino)-3,7-dihydropurin-6-one structure	Common Name	2-(3-ethyl-4-methylanilino)-3,7-dihydropurin-6-one
	CAS Number	104715-65-3	Molecular Weight	269.30200
	Density	1.4g/cm3	Boiling Point	536.7ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₅N₅O	Melting Point	N/A
	MSDS	N/A	Flash Point	278.4ºC

Name	2-(3-ethyl-4-methylanilino)-3,7-dihydropurin-6-one

Density	1.4g/cm3
Boiling Point	536.7ºC at 760 mmHg
Molecular Formula	C₁₄H₁₅N₅O
Molecular Weight	269.30200
Flash Point	278.4ºC
Exact Mass	269.12800
PSA	86.72000
LogP	2.74590
Vapour Pressure	1.36E-11mmHg at 25°C
Index of Refraction	1.713
InChIKey	JUIJZZPKQVQVDL-UHFFFAOYSA-N
SMILES	CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UP0799000

CHEMICAL NAME :: 6H-Purin-6-one, 1,9-dihydro-2-((3-ethyl-4-methylphenyl)amino)-

CAS REGISTRY NUMBER :: 104715-65-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H15-N5-O

MOLECULAR WEIGHT :: 269.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Human HeLa cell

DOSE/DURATION :: 100 umol/L

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 30,109,1987

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Literature: Wright, George E.; Dudycz, Lech W.; Kazimierczuk, Zygmunt; Brown, Neal C.; Khan, Naseema N. Journal of Medicinal Chemistry, 1987 , vol. 30, # 1 p. 109 - 116

Name: Inhibitory constant against DNA polymerases IIIC produced by Bacillus subtilis; (a)
Source: ChEMBL
Target: DNA polymerase III PolC-type
External Id: CHEMBL830411

Name: Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase
Source: ChEMBL
Target: Thymidine kinase
External Id: CHEMBL810049

Name: Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a); IN=<10% ...
Source: ChEMBL
Target: DNA polymerase III subunit alpha
External Id: CHEMBL830438

Name: Compound was evaluated for the effect on DNA synthesis by HeLa cells in culture and t...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL698920

Name: Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells
Source: ChEMBL
Target: Thymidine kinase
External Id: CHEMBL814153

Name: Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells
Source: ChEMBL
Target: Thymidine kinase
External Id: CHEMBL814155

Name: Compound (at a concentration of 100 uM) was evaluated for the effect on DNA synthesis...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL696945

Name: Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex vir...
Source: ChEMBL
Target: Thymidine kinase
External Id: CHEMBL814154

Name: Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)
Source: ChEMBL
Target: DNA polymerase III subunit alpha
External Id: CHEMBL830369

Name: Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex vir...
Source: ChEMBL
Target: Thymidine kinase
External Id: CHEMBL812473

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2-(3-ethyl-4-methylanilino)-3,7-dihydropurin-6-one

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Chemical & Physical Properties

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