4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one

C12H20N4O — CID 136912696

IUPAC4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(C)(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O/c1-12(3-5-16(2)6-4-12)8-13-10-7-11(17)15-9-14-10/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyJZRWJQXZWKQZPU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.91
Rot. Bonds3

About 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one

4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136912696) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136912696
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(C)(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O/c1-12(3-5-16(2)6-4-12)8-13-10-7-11(17)15-9-14-10/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyJZRWJQXZWKQZPU-UHFFFAOYSA-N
XLogP0.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-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

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136912696) is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one is CN1CCC(C)(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JZRWJQXZWKQZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(3-5-16(2)6-4-12)8-13-10-7-11(17)15-9-14-10/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136912696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).