2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one

C13H16N2O2 — CID 135870029

IUPAC2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCc1c(O)nc2ccccn2c1=O
InChIInChI=1S/C13H16N2O2/c1-9(2)6-7-10-12(16)14-11-5-3-4-8-15(11)13(10)17/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyJWKOTQVTCXZDLZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.99
Rot. Bonds3

About 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one

2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135870029) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID135870029
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)CCc1c(O)nc2ccccn2c1=O
InChIInChI=1S/C13H16N2O2/c1-9(2)6-7-10-12(16)14-11-5-3-4-8-15(11)13(10)17/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyJWKOTQVTCXZDLZ-UHFFFAOYSA-N
XLogP1.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681057
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 22299398
N-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 137316980
6-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3659394
3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 67509636
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 137214884
2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 78974146
methyl (3S)-3-(4-chlorophenyl)-3-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 136676684
methyl (3R)-3-(2-fluorophenyl)-3-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 136676762
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N,N-bis(2-methylpropyl)propanamide
CID 84565205

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one (CID 135870029) is 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one is CC(C)CCc1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JWKOTQVTCXZDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)6-7-10-12(16)14-11-5-3-4-8-15(11)13(10)17/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one?
2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 232.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135870029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).