6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one

C14H11N3O2 — CID 134805941

IUPAC6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(-c3cccc(O)c3)nc2c1=O
InChIInChI=1S/C14H11N3O2/c1-17-8-15-12-6-5-11(16-13(12)14(17)19)9-3-2-4-10(18)7-9/h2-8,18H,1H3
InChIKeyCGPMQEMDRWLREL-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.70
Rot. Bonds1

About 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one

6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805941) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134805941
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(-c3cccc(O)c3)nc2c1=O
InChIInChI=1S/C14H11N3O2/c1-17-8-15-12-6-5-11(16-13(12)14(17)19)9-3-2-4-10(18)7-9/h2-8,18H,1H3
InChIKeyCGPMQEMDRWLREL-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
6-(3-Fluoro-4-hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 137279418
6-(3-Fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 137279420
6-(3-Hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134805586
6-(3,4-Dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134808997
3-Cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810923
3-(2,4-Difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808976
1-Benzyl-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 137279417
3-(2,4-Difluorophenyl)-6-(3-fluoro-4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 137288924
3-Benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808334
6-(3-Hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810764
6-(3-Hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810944

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one (CID 134805941) is 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one is Cn1cnc2ccc(-c3cccc(O)c3)nc2c1=O.
What is the InChIKey of 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is CGPMQEMDRWLREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-8-15-12-6-5-11(16-13(12)14(17)19)9-3-2-4-10(18)7-9/h2-8,18H,1H3.
What are the key properties of 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).