6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C16H21ClN4O — CID 170954287

IUPAC6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(Cl)cc2cnc(NC3CCCCC3)nc21
InChIInChI=1S/C16H21ClN4O/c1-10(2)21-14-11(8-13(17)15(21)22)9-18-16(20-14)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyPSTYONAOVQUOJA-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.77
Rot. Bonds3

About 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170954287) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170954287
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(Cl)cc2cnc(NC3CCCCC3)nc21
InChIInChI=1S/C16H21ClN4O/c1-10(2)21-14-11(8-13(17)15(21)22)9-18-16(20-14)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyPSTYONAOVQUOJA-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[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

6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954419
6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 171599036
2-[[4-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]sulfonylcyclohexyl]amino]-6-chloro-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954405
6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 164925501
2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146892
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
6-chloro-2-[2-methyl-4-(methylsulfanylmethyl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954194
6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954436
6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170952988
2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 142118141
6-chloro-8-[(1S,3S)-3-hydroxycyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253128

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 170954287) is 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(Cl)cc2cnc(NC3CCCCC3)nc21.
What is the InChIKey of 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PSTYONAOVQUOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-10(2)21-14-11(8-13(17)15(21)22)9-18-16(20-14)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 320.82 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170954287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).