4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C10H8N4OS — CID 141300920

IUPAC4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCSc1nc(C)c2cc(C#N)c(=O)[nH]c2n1
InChIInChI=1S/C10H8N4OS/c1-5-7-3-6(4-11)9(15)13-8(7)14-10(12-5)16-2/h3H,1-2H3,(H,12,13,14,15)
InChIKeyOSQYVOXSWQKXHD-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.22
Rot. Bonds1

About 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile

4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 141300920) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID141300920
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCSc1nc(C)c2cc(C#N)c(=O)[nH]c2n1
InChIInChI=1S/C10H8N4OS/c1-5-7-3-6(4-11)9(15)13-8(7)14-10(12-5)16-2/h3H,1-2H3,(H,12,13,14,15)
InChIKeyOSQYVOXSWQKXHD-UHFFFAOYSA-N
XLogP1.22
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile 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

2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
6-fluoro-2-methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073456
8-[(3Z,5E)-3,5-difluorohepta-1,3,5-trien-4-yl]-4-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 143303139
4-(Difluoromethyl)-2-methylsulfanyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 176025216
Pyrido[2,3-d]pyrimidin-7(8H)-one, 4,8-dimethyl-2-methylamino-
CID 609306
2,4,6-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795384
4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 176974555
4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 5358634
4,6-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795383
4-Amino-2-(methylsulfanyl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 13572495
2-amino-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 16123062
4,8-Dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 21073276

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 141300920) is 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile is CSc1nc(C)c2cc(C#N)c(=O)[nH]c2n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is OSQYVOXSWQKXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-5-7-3-6(4-11)9(15)13-8(7)14-10(12-5)16-2/h3H,1-2H3,(H,12,13,14,15).
What are the key properties of 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 141300920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).