5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one

C9H8ClN3O — CID 83820734

IUPAC5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nccc(Cl)c2c(=O)n1C
InChIInChI=1S/C9H8ClN3O/c1-5-12-8-7(9(14)13(5)2)6(10)3-4-11-8/h3-4H,1-2H3
InChIKeyPCKLNUZQFRMEMC-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.29
Rot. Bonds

About 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one

5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 83820734) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
PubChem CID83820734
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nccc(Cl)c2c(=O)n1C
InChIInChI=1S/C9H8ClN3O/c1-5-12-8-7(9(14)13(5)2)6(10)3-4-11-8/h3-4H,1-2H3
InChIKeyPCKLNUZQFRMEMC-UHFFFAOYSA-N
XLogP1.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,7-tetramethylpyrido[2,3-d]pyrimidin-4-one
CID 12910050
2,3-dimethylimidazo[4,5-b]pyrazine
CID 59974515
2,5-dichloro-8-iodo-3-methylquinazolin-4-one
CID 170754008
1,2,8-trimethyl-7H-purin-6-one
CID 20676688
2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one
CID 59961681
6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one
CID 177234106
7-chloro-1,2-dimethylpyrrolo[3,2-b]pyridine
CID 84657667
5-decyl-2,3-dimethylquinazolin-4-one
CID 175348945
1,2,9-trimethylpurin-6-one
CID 59886903
8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-1,2-dimethylpurin-6-one
CID 142960613
8-chloropyrido[2,3-b]pyrazine
CID 77230570
6-bromo-5-chloro-2,3-dimethylquinazolin-4-one;5-chloro-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-one
CID 158018744

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one (CID 83820734) is 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one is Cc1nc2nccc(Cl)c2c(=O)n1C.
What is the InChIKey of 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PCKLNUZQFRMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5-12-8-7(9(14)13(5)2)6(10)3-4-11-8/h3-4H,1-2H3.
What are the key properties of 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one?
5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 209.64 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 83820734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).