6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

C21H19N5O2 — CID 169188386

IUPAC6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(O)c(C)c1-c1cc2cnc(Nc3ccccn3)nc2n(C)c1=O
InChIInChI=1S/C21H19N5O2/c1-12-7-8-16(27)13(2)18(12)15-10-14-11-23-21(24-17-6-4-5-9-22-17)25-19(14)26(3)20(15)28/h4-11,27H,1-3H3,(H,22,23,24,25)
InChIKeyBBKJTXXPJNKTIM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.46
Rot. Bonds3

About 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 169188386) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID169188386
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(O)c(C)c1-c1cc2cnc(Nc3ccccn3)nc2n(C)c1=O
InChIInChI=1S/C21H19N5O2/c1-12-7-8-16(27)13(2)18(12)15-10-14-11-23-21(24-17-6-4-5-9-22-17)25-19(14)26(3)20(15)28/h4-11,27H,1-3H3,(H,22,23,24,25)
InChIKeyBBKJTXXPJNKTIM-UHFFFAOYSA-N
XLogP3.46
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 169188386) is 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(O)c(C)c1-c1cc2cnc(Nc3ccccn3)nc2n(C)c1=O.
What is the InChIKey of 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BBKJTXXPJNKTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-7-8-16(27)13(2)18(12)15-10-14-11-23-21(24-17-6-4-5-9-22-17)25-19(14)26(3)20(15)28/h4-11,27H,1-3H3,(H,22,23,24,25).
What are the key properties of 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 373.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169188386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).