3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one

C15H12N2O2 — CID 135454301

IUPAC3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2ccccn12
InChIInChI=1S/C15H12N2O2/c18-14-12(10-11-6-2-1-3-7-11)15(19)17-9-5-4-8-13(17)16-14/h1-9,18H,10H2
InChIKeyAMNSPUGKYJSVEW-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.99
Rot. Bonds2

About 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one

3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 135454301) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID135454301
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2ccccn12
InChIInChI=1S/C15H12N2O2/c18-14-12(10-11-6-2-1-3-7-11)15(19)17-9-5-4-8-13(17)16-14/h1-9,18H,10H2
InChIKeyAMNSPUGKYJSVEW-UHFFFAOYSA-N
XLogP1.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 135454301) is 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1c(Cc2ccccc2)c(O)nc2ccccn12.
What is the InChIKey of 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AMNSPUGKYJSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-12(10-11-6-2-1-3-7-11)15(19)17-9-5-4-8-13(17)16-14/h1-9,18H,10H2.
What are the key properties of 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 252.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135454301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).