2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O — CID 135973634

IUPAC2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-9(2)10-8-11(16)14-12(13-10)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyFVDXCMFJOWVDKA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds2

About 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one

2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135973634) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135973634
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-9(2)10-8-11(16)14-12(13-10)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyFVDXCMFJOWVDKA-UHFFFAOYSA-N
XLogP1.88
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-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

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
6-butyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135990496
6-Ethyl-2-(piperidin-1-YL)pyrimidin-4-OL
CID 135573221
2-(4,4-difluoropiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 178584947
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371585
2-(cyclohexylamino)-3-ethyl-6-propyl-4(3H)-pyrimidinone
CID 731914
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
6-tert-Butyl-2-(1-piperazinyl)-4(3H)-pyrimidinone, AldrichCPR
CID 135889466
2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one
CID 155900879
6-(3-methylbutyl)-2-(piperidin-1-yl)pyrimidin-4(3H)-one
CID 135645679
6-(3-methylbutyl)-2-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 135645680
2-(diethylamino)-4-ethyl-1H-pyrimidin-6-one
CID 135596649

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one (CID 135973634) is 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FVDXCMFJOWVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)10-8-11(16)14-12(13-10)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one?
2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).