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

C12H14N2O2 — CID 135425019

IUPAC3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H14N2O2/c1-2-3-6-9-11(15)13-10-7-4-5-8-14(10)12(9)16/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyDILLAEPULZNINL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.74
Rot. Bonds3

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

3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 135425019) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID135425019
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H14N2O2/c1-2-3-6-9-11(15)13-10-7-4-5-8-14(10)12(9)16/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyDILLAEPULZNINL-UHFFFAOYSA-N
XLogP1.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-2-hydroxypyrido[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

2-hydroxy-3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135448456
3-Ethyl-4-hydroxypyrido[1,2-a]pyrimidin-2-one
CID 135419040
4H-Pyrido(1,2-a)pyrimidin-4-one, 2-methyl-3-propyl-, monohydrochloride
CID 3053746
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-butyl-2-methyl-, monohydrochloride
CID 3053748
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one;hydrochloride
CID 12485585
2,3-Dihydrocyclopenta(d)pyrido(1,2-a)pyrimidin-10(1H)-one
CID 12485564
2,3-Dihydro-7-methylcyclopenta[d]pyrido[1,2-alpha]pyrimidin-10(1H)-one
CID 12485582
3-butyl-9-hydroxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 59532554
1,2,3,4-Tetrahydro-7-methyl-11H-pyrido[2,1-b]quinazolin-11-one
CID 13081385
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-methyl-3-propyl-
CID 3053747
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 12485584

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 135425019) is 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one is CCCCc1c(O)nc2ccccn2c1=O.
What is the InChIKey of 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DILLAEPULZNINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-6-9-11(15)13-10-7-4-5-8-14(10)12(9)16/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135425019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).