2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C16H16N4O — CID 5330225

IUPAC2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C16H16N4O/c1-11(2)20-14(21)9-8-12-10-17-16(19-15(12)20)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,18,19)
InChIKeyJNPPLTSTJPYKOL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.12
Rot. Bonds3

About 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330225) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330225
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C16H16N4O/c1-11(2)20-14(21)9-8-12-10-17-16(19-15(12)20)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,18,19)
InChIKeyJNPPLTSTJPYKOL-UHFFFAOYSA-N
XLogP3.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Prt-060318
CID 11493841
FK-3453
CID 52939114
Narazaciclib
CID 56649281
2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 5330225) is 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JNPPLTSTJPYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)20-14(21)9-8-12-10-17-16(19-15(12)20)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,18,19).
What are the key properties of 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 280.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).