4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one

C12H15N3O3S — CID 141302003

IUPAC4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2[nH]c(=O)cc(C(C)C)c12
InChIInChI=1S/C12H15N3O3S/c1-6(2)8-5-9(16)14-11-10(8)7(3)13-12(15-11)19(4,17)18/h5-6H,1-4H3,(H,13,14,15,16)
InChIKeyAOUPKNRGRSVCIB-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.15
Rot. Bonds2

About 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one

4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141302003) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141302003
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2[nH]c(=O)cc(C(C)C)c12
InChIInChI=1S/C12H15N3O3S/c1-6(2)8-5-9(16)14-11-10(8)7(3)13-12(15-11)19(4,17)18/h5-6H,1-4H3,(H,13,14,15,16)
InChIKeyAOUPKNRGRSVCIB-UHFFFAOYSA-N
XLogP1.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-methylsulfonyl-5-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 141302003) is 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(S(C)(=O)=O)nc2[nH]c(=O)cc(C(C)C)c12.
What is the InChIKey of 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AOUPKNRGRSVCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-6(2)8-5-9(16)14-11-10(8)7(3)13-12(15-11)19(4,17)18/h5-6H,1-4H3,(H,13,14,15,16).
What are the key properties of 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 281.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141302003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).