3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

C16H14N2O2 — CID 13243149

IUPAC3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(O)cccn2c(=O)c1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c1-11-13(10-12-6-3-2-4-7-12)16(20)18-9-5-8-14(19)15(18)17-11/h2-9,19H,10H2,1H3
InChIKeyKPDRHTBABOHAAC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds2

About 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 13243149) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID13243149
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(O)cccn2c(=O)c1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c1-11-13(10-12-6-3-2-4-7-12)16(20)18-9-5-8-14(19)15(18)17-11/h2-9,19H,10H2,1H3
InChIKeyKPDRHTBABOHAAC-UHFFFAOYSA-N
XLogP2.30
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135399285
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
3-benzyl-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454301
4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-hydroxy-3-phenyl-
CID 135574819
9-hydroxy-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12219972
3-Benzoylpyrido[1,2-a]pyrimidin-4-one
CID 2819120
3,8-Diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647939
US11053213, Example 34
CID 134218441
US11053213, Example 29
CID 134218459
2-hydroxy-8-methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135445449
5-[2-(3,5-Difluorophenyl)acetyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 3532229
5-[2-(3,5-Difluorophenyl)acetyl]-11-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 4092636

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 13243149) is 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(O)cccn2c(=O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KPDRHTBABOHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-13(10-12-6-3-2-4-7-12)16(20)18-9-5-8-14(19)15(18)17-11/h2-9,19H,10H2,1H3.
What are the key properties of 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13243149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).