1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea

C21H19N5O2S — CID 6540026

IUPAC1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea
SMILESCOc1cc(-c2csc3ncnc(N)c23)ccc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H19N5O2S/c1-12-4-3-5-14(8-12)25-21(27)26-16-7-6-13(9-17(16)28-2)15-10-29-20-18(15)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyRGUYCALMJCWDEH-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.90
Rot. Bonds4

About 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea

1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea (PubChem CID 6540026) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea
PubChem CID6540026
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea
SMILESCOc1cc(-c2csc3ncnc(N)c23)ccc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H19N5O2S/c1-12-4-3-5-14(8-12)25-21(27)26-16-7-6-13(9-17(16)28-2)15-10-29-20-18(15)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyRGUYCALMJCWDEH-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-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)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. 13
CID 6539990
Thienopyrimidine deriv. 14
CID 6539991
Thienopyrimidine deriv. 15
CID 6539992
Thienopyrimidine deriv. 85
CID 6540018
Thienopyrimidine deriv. 90
CID 6540023
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
N-[3-({5-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]acetamide
CID 4582216
N-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2462466
N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 23631944
[4-(4-Anilinothieno[2,3-d]pyrimidin-6-yl)-3-methoxyphenyl]methanol
CID 117803686
6-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 117803889

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea (CID 6540026) is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea is COc1cc(-c2csc3ncnc(N)c23)ccc1NC(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea?
The InChIKey is RGUYCALMJCWDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-12-4-3-5-14(8-12)25-21(27)26-16-7-6-13(9-17(16)28-2)15-10-29-20-18(15)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27).
What are the key properties of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea?
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)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-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 6540026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).