1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one

C13H10ClN3OS — CID 62962688

IUPAC1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2nc(Cl)c3ccsc3n2)c(=O)c1
InChIInChI=1S/C13H10ClN3OS/c1-8-2-4-17(11(18)6-8)7-10-15-12(14)9-3-5-19-13(9)16-10/h2-6H,7H2,1H3
InChIKeyYGJDXDVOLWORJV-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.86
Rot. Bonds2

About 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one

1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one (PubChem CID 62962688) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one
PubChem CID62962688
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2nc(Cl)c3ccsc3n2)c(=O)c1
InChIInChI=1S/C13H10ClN3OS/c1-8-2-4-17(11(18)6-8)7-10-15-12(14)9-3-5-19-13(9)16-10/h2-6H,7H2,1H3
InChIKeyYGJDXDVOLWORJV-UHFFFAOYSA-N
XLogP2.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one (CID 62962688) is 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2nc(Cl)c3ccsc3n2)c(=O)c1.
What is the InChIKey of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one?
The InChIKey is YGJDXDVOLWORJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-8-2-4-17(11(18)6-8)7-10-15-12(14)9-3-5-19-13(9)16-10/h2-6H,7H2,1H3.
What are the key properties of 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one?
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one has a molecular weight of 291.76 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 62962688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).