2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one

C17H17N3O2 — CID 135894083

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2n1
InChIInChI=1S/C17H17N3O2/c1-8-5-11(4)18-16-13(8)17(22)20-15(19-16)12-6-9(2)14(21)10(3)7-12/h5-7,21H,1-4H3,(H,18,19,20,22)
InChIKeyORRYRPGFUIKYOE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.92
Rot. Bonds1

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

2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135894083) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135894083
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2n1
InChIInChI=1S/C17H17N3O2/c1-8-5-11(4)18-16-13(8)17(22)20-15(19-16)12-6-9(2)14(21)10(3)7-12/h5-7,21H,1-4H3,(H,18,19,20,22)
InChIKeyORRYRPGFUIKYOE-UHFFFAOYSA-N
XLogP2.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,7-trimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135767387
5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135408240
5-(4-hydroxy-3,5-dimethylphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 135567026
5,7-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 5410048
ethane;2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methoxy-7-propyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 143728313
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-propylacetamide
CID 135671586
2-(4-hydroxy-3,5-diiodophenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 137064460
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135488914
2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135441412
4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol
CID 135450775
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
2,3,5,7-tetramethyl-1H-1,8-naphthyridin-4-one
CID 13155599

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135894083) is 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2n1.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ORRYRPGFUIKYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-8-5-11(4)18-16-13(8)17(22)20-15(19-16)12-6-9(2)14(21)10(3)7-12/h5-7,21H,1-4H3,(H,18,19,20,22).
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135894083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).