5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one

C9H9N3O — CID 135408240

IUPAC5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]cnc2n1
InChIInChI=1S/C9H9N3O/c1-5-3-6(2)12-8-7(5)9(13)11-4-10-8/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyHWGAGILTAOQBPD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.93
Rot. Bonds

About 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one

5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135408240) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135408240
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]cnc2n1
InChIInChI=1S/C9H9N3O/c1-5-3-6(2)12-8-7(5)9(13)11-4-10-8/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyHWGAGILTAOQBPD-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,7-trimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135767387
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135783855
5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135741818
2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135894083
5,7-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 5410048
1,7-dihydropurin-6-one
CID 135546991
2-amino-6-chloro-4-methylpyridine-3-carboxamide;7-chloro-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane
CID 159003981
5-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 53213978
3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
CID 135460323
2,3,5,7-tetramethylpyrido[2,3-d]pyrimidin-4-one
CID 12910050
azane;1,7-dihydropurin-6-one
CID 158320966

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135408240) is 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(=O)[nH]cnc2n1.
What is the InChIKey of 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HWGAGILTAOQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-3-6(2)12-8-7(5)9(13)11-4-10-8/h3-4H,1-2H3,(H,10,11,12,13).
What are the key properties of 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135408240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).