3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

C12H19N3O — CID 155002572

IUPAC3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCc1cnc(N2CCC(C)CC2)n(C)c1=O
InChIInChI=1S/C12H19N3O/c1-9-4-6-15(7-5-9)12-13-8-10(2)11(16)14(12)3/h8-9H,4-7H2,1-3H3
InChIKeyOFOVZEZECPJVCV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.33
Rot. Bonds1

About 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (PubChem CID 155002572) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
PubChem CID155002572
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCc1cnc(N2CCC(C)CC2)n(C)c1=O
InChIInChI=1S/C12H19N3O/c1-9-4-6-15(7-5-9)12-13-8-10(2)11(16)14(12)3/h8-9H,4-7H2,1-3H3
InChIKeyOFOVZEZECPJVCV-UHFFFAOYSA-N
XLogP1.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The IUPAC name of 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (CID 155002572) is 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The canonical SMILES for 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is Cc1cnc(N2CCC(C)CC2)n(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The InChIKey is OFOVZEZECPJVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-6-15(7-5-9)12-13-8-10(2)11(16)14(12)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 155002572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).