3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one

C18H16N2O2 — CID 162658650

IUPAC3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one
SMILESCc1c(O)nc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-13-17(21)19-16(15-10-6-3-7-11-15)20(18(13)22)12-14-8-4-2-5-9-14/h2-11,21H,12H2,1H3
InChIKeyZGHMGPCENGZYHK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.97
Rot. Bonds3

About 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one

3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one (PubChem CID 162658650) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one
PubChem CID162658650
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one
SMILESCc1c(O)nc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-13-17(21)19-16(15-10-6-3-7-11-15)20(18(13)22)12-14-8-4-2-5-9-14/h2-11,21H,12H2,1H3
InChIKeyZGHMGPCENGZYHK-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one?
The IUPAC name of 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one (CID 162658650) is 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one is Cc1c(O)nc(-c2ccccc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one?
The InChIKey is ZGHMGPCENGZYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-17(21)19-16(15-10-6-3-7-11-15)20(18(13)22)12-14-8-4-2-5-9-14/h2-11,21H,12H2,1H3.
What are the key properties of 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one?
3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-hydroxy-5-methyl-2-phenylpyrimidin-4-one is sourced from PubChem (CID 162658650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).