1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea

C21H19N5O2S — CID 6539990

IUPAC1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2c(C)sc3ncnc(N)c23)cc1
InChIInChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-7-9-14(10-8-13)25-21(27)26-15-5-3-4-6-16(15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyGWKIGGBPQCNPSU-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.90
Rot. Bonds4

About 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea

1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea (PubChem CID 6539990) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea
PubChem CID6539990
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2c(C)sc3ncnc(N)c23)cc1
InChIInChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-7-9-14(10-8-13)25-21(27)26-15-5-3-4-6-16(15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyGWKIGGBPQCNPSU-UHFFFAOYSA-N
XLogP4.90
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thienopyrimidine deriv. 69
CID 6539977
Thienopyrimidine deriv. 14
CID 6539991
Thienopyrimidine deriv. 15
CID 6539992
Thienopyrimidine deriv. 85
CID 6540018
Thienopyrimidine deriv. 90
CID 6540023
Thienopyrimidine deriv. 93
CID 6540026
(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 78319175
N-(2,5-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2508929
2-[[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 1946404
N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 5185787
(2,4-Dimethoxy-phenyl)-(6-methyl-thieno[2,3-d]pyrimidin-4-yl)-amine
CID 16370449
N-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16370450

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea (CID 6539990) is 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(-c2c(C)sc3ncnc(N)c23)cc1.
What is the InChIKey of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea?
The InChIKey is GWKIGGBPQCNPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-7-9-14(10-8-13)25-21(27)26-15-5-3-4-6-16(15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27).
What are the key properties of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea?
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea has a molecular weight of 405.48 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 6539990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).