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

C16H13N3O2 — CID 134810923

IUPAC3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3cccc(O)c3)ccc2ncn1C1CC1
InChIInChI=1S/C16H13N3O2/c20-12-3-1-2-10(8-12)13-6-7-14-15(18-13)16(21)19(9-17-14)11-4-5-11/h1-3,6-9,11,20H,4-5H2
InChIKeyCDOHMIQAFDECJE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.50
Rot. Bonds2

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

3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810923) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810923
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3cccc(O)c3)ccc2ncn1C1CC1
InChIInChI=1S/C16H13N3O2/c20-12-3-1-2-10(8-12)13-6-7-14-15(18-13)16(21)19(9-17-14)11-4-5-11/h1-3,6-9,11,20H,4-5H2
InChIKeyCDOHMIQAFDECJE-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.50
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
3-Cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810943
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-Hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134805941
3-Cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808634
10-hydroxyluotonin A
CID 135771800
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810923) is 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3cccc(O)c3)ccc2ncn1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is CDOHMIQAFDECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-12-3-1-2-10(8-12)13-6-7-14-15(18-13)16(21)19(9-17-14)11-4-5-11/h1-3,6-9,11,20H,4-5H2.
What are the key properties of 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 279.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).