3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one

C13H21N3O — CID 166901177

IUPAC3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one
SMILESCC(C)C1CCN(c2nccc(=O)n2C)CC1
InChIInChI=1S/C13H21N3O/c1-10(2)11-5-8-16(9-6-11)13-14-7-4-12(17)15(13)3/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyLARGTICPSQQERB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds2

About 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one

3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one (PubChem CID 166901177) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one
PubChem CID166901177
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one
SMILESCC(C)C1CCN(c2nccc(=O)n2C)CC1
InChIInChI=1S/C13H21N3O/c1-10(2)11-5-8-16(9-6-11)13-14-7-4-12(17)15(13)3/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyLARGTICPSQQERB-UHFFFAOYSA-N
XLogP1.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one (CID 166901177) is 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one is CC(C)C1CCN(c2nccc(=O)n2C)CC1.
What is the InChIKey of 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one?
The InChIKey is LARGTICPSQQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)11-5-8-16(9-6-11)13-14-7-4-12(17)15(13)3/h4,7,10-11H,5-6,8-9H2,1-3H3.
What are the key properties of 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one?
3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 166901177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).