8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C11H12N2O — CID 154179300

IUPAC8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccn2c(=O)ccnc2c1
InChIInChI=1S/C11H12N2O/c1-8(2)9-4-6-13-10(7-9)12-5-3-11(13)14/h3-8H,1-2H3
InChIKeyRWAVKLXPZYOTDC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.82
Rot. Bonds1

About 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 154179300) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID154179300
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccn2c(=O)ccnc2c1
InChIInChI=1S/C11H12N2O/c1-8(2)9-4-6-13-10(7-9)12-5-3-11(13)14/h3-8H,1-2H3
InChIKeyRWAVKLXPZYOTDC-UHFFFAOYSA-N
XLogP1.82
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
2-Methoxy-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266901
2-hydroxy-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135426874
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42890836
3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3053745
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527406
2-(2,2-Dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 130209616
5-fluoro-2-methyl-1-[[(4R)-4-methylcyclohexa-1,5-dien-1-yl]methyl]pyrimidin-4-one
CID 145174096

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 154179300) is 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC(C)c1ccn2c(=O)ccnc2c1.
What is the InChIKey of 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RWAVKLXPZYOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(2)9-4-6-13-10(7-9)12-5-3-11(13)14/h3-8H,1-2H3.
What are the key properties of 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154179300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).