4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one

C16H13N3O2 — CID 65430435

IUPAC4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccn2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-15-14(11-6-2-1-3-7-11)16(21)19-13(18-15)10-12-8-4-5-9-17-12/h1-9H,10H2,(H2,18,19,20,21)
InChIKeyZTMCIJINUKUQOF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.13
Rot. Bonds3

About 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 65430435) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID65430435
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccn2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-15-14(11-6-2-1-3-7-11)16(21)19-13(18-15)10-12-8-4-5-9-17-12/h1-9H,10H2,(H2,18,19,20,21)
InChIKeyZTMCIJINUKUQOF-UHFFFAOYSA-N
XLogP2.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one (CID 65430435) is 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(Cc2ccccn2)nc(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ZTMCIJINUKUQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15-14(11-6-2-1-3-7-11)16(21)19-13(18-15)10-12-8-4-5-9-17-12/h1-9H,10H2,(H2,18,19,20,21).
What are the key properties of 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 279.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65430435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).