3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one

C15H13N3O2 — CID 45212891

IUPAC3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CC(O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c19-14(11-4-2-1-3-5-11)9-18-10-17-13-8-16-7-6-12(13)15(18)20/h1-8,10,14,19H,9H2
InChIKeyXOQXRPZKWUZNCP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.53
Rot. Bonds3

About 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one

3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one (PubChem CID 45212891) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
PubChem CID45212891
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CC(O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c19-14(11-4-2-1-3-5-11)9-18-10-17-13-8-16-7-6-12(13)15(18)20/h1-8,10,14,19H,9H2
InChIKeyXOQXRPZKWUZNCP-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
CID 17407106
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one
CID 110026772
3-[2-hydroxy-3-[2-(trifluoromethyl)phenyl]propyl]pyrido[3,4-d]pyrimidin-4-one
CID 84599267
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 75518916
3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 39746170
2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122136488
N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide
CID 122150068
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one (CID 45212891) is 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1CC(O)c1ccccc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XOQXRPZKWUZNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(11-4-2-1-3-5-11)9-18-10-17-13-8-16-7-6-12(13)15(18)20/h1-8,10,14,19H,9H2.
What are the key properties of 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one?
3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 45212891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).