3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one

C15H12N2O2 — CID 102104425

IUPAC3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2c(O)cccn2cc1Cc1ccccc1
InChIInChI=1S/C15H12N2O2/c18-13-7-4-8-17-10-12(15(19)16-14(13)17)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2
InChIKeyDXADMASEHQVEHH-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.99
Rot. Bonds2

About 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one

3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one (PubChem CID 102104425) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one
PubChem CID102104425
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2c(O)cccn2cc1Cc1ccccc1
InChIInChI=1S/C15H12N2O2/c18-13-7-4-8-17-10-12(15(19)16-14(13)17)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2
InChIKeyDXADMASEHQVEHH-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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Related Compounds

9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 90666160
2-[(4-bromophenyl)methyl]imidazo[1,2-a]pyridin-8-ol
CID 117137466
3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 13243149
2-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117137864
3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252385
3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 102104430
2-[8-(2-phenylethoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055648
3-[[4-[(3,5,6-trichloro-2-pyridinyl)oxy]phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53308926
3-benzyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 136756841
2-benzylphenol;ethane
CID 91068983
lithium;2-benzylphenol;hydride
CID 174706000
3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384984

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one (CID 102104425) is 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one is O=c1nc2c(O)cccn2cc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one?
The InChIKey is DXADMASEHQVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-13-7-4-8-17-10-12(15(19)16-14(13)17)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2.
What are the key properties of 3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one?
3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-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-9-hydroxypyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 102104425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).