5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide

C17H16N4O2S — CID 11645815

IUPAC5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cc(N)ncn3)s2)c1
InChIInChI=1S/C17H16N4O2S/c1-23-12-4-2-3-11(7-12)9-19-17(22)15-6-5-14(24-15)13-8-16(18)21-10-20-13/h2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyCOKRNWBCLKOZME-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.73
Rot. Bonds5

About 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide

5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 11645815) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID11645815
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cc(N)ncn3)s2)c1
InChIInChI=1S/C17H16N4O2S/c1-23-12-4-2-3-11(7-12)9-19-17(22)15-6-5-14(24-15)13-8-16(18)21-10-20-13/h2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyCOKRNWBCLKOZME-UHFFFAOYSA-N
XLogP2.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide 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

N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
2-[5-[(3-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 90188040
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide
CID 59849628
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 53169243
4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670788
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
CID 69160390

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 11645815) is 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1cccc(CNC(=O)c2ccc(-c3cc(N)ncn3)s2)c1.
What is the InChIKey of 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is COKRNWBCLKOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-12-4-2-3-11(7-12)9-19-17(22)15-6-5-14(24-15)13-8-16(18)21-10-20-13/h2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,21).
What are the key properties of 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11645815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).