4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one

C9H9N3O2S — CID 141207543

IUPAC4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)=O)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O2S/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)15(2)14/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyQNIVHJTYOSOZMT-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.36
Rot. Bonds1

About 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141207543) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141207543
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)=O)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O2S/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)15(2)14/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyQNIVHJTYOSOZMT-UHFFFAOYSA-N
XLogP0.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one 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-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 176025202
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
2,4,5-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134987193
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-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795379
4-Amino-2-(methylsulfanyl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 13572495

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 141207543) is 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(S(C)=O)nc2[nH]c(=O)ccc12.
What is the InChIKey of 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QNIVHJTYOSOZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)15(2)14/h3-4H,1-2H3,(H,10,11,12,13).
What are the key properties of 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 223.26 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141207543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).