8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

C14H17N3O2S — CID 10661257

IUPAC8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2ccc(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C14H17N3O2S/c1-20(19)14-15-9-10-7-8-12(18)17(13(10)16-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyLEBREACNBDDHEA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.03
Rot. Bonds2

About 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10661257) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10661257
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2ccc(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C14H17N3O2S/c1-20(19)14-15-9-10-7-8-12(18)17(13(10)16-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyLEBREACNBDDHEA-UHFFFAOYSA-N
XLogP2.03
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-cyclohexyl-2-methylsulfinylpyrido[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

1-{trans-4-[(8-Cyclopentyl-7-Oxo-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl)amino]cyclohexyl}-3-Propan-2-Ylurea
CID 91754589
1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
US10233188, Example 1
CID 134247531
US10233188, Example 19
CID 134253053
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
1-cyclohexyl-5-{[2-(methylthio)-5-pyrimidinyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 885031
1-Ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 118146747
1-[4-[(8-Methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
CID 118146764
2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide
CID 118146870
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871
4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 118146872
2-[(4-Aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146891

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (CID 10661257) is 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is CS(=O)c1ncc2ccc(=O)n(C3CCCCC3)c2n1.
What is the InChIKey of 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LEBREACNBDDHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20(19)14-15-9-10-7-8-12(18)17(13(10)16-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 291.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10661257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).