5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one

C12H19N3O — CID 63205846

IUPAC5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one
SMILESCc1cnc(=O)n(CCC2CCCNC2)c1
InChIInChI=1S/C12H19N3O/c1-10-7-14-12(16)15(9-10)6-4-11-3-2-5-13-8-11/h7,9,11,13H,2-6,8H2,1H3
InChIKeyQBPSQRRKJFMEEP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.94
Rot. Bonds3

About 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one

5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one (PubChem CID 63205846) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one
PubChem CID63205846
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one
SMILESCc1cnc(=O)n(CCC2CCCNC2)c1
InChIInChI=1S/C12H19N3O/c1-10-7-14-12(16)15(9-10)6-4-11-3-2-5-13-8-11/h7,9,11,13H,2-6,8H2,1H3
InChIKeyQBPSQRRKJFMEEP-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-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 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
The IUPAC name of 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one (CID 63205846) is 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one is Cc1cnc(=O)n(CCC2CCCNC2)c1.
What is the InChIKey of 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
The InChIKey is QBPSQRRKJFMEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-7-14-12(16)15(9-10)6-4-11-3-2-5-13-8-11/h7,9,11,13H,2-6,8H2,1H3.
What are the key properties of 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-piperidin-3-ylethyl)pyrimidin-2-one is sourced from PubChem (CID 63205846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).