4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

C12H20N4O — CID 136957604

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O/c1-15(2)8-10-3-5-16(6-4-10)11-7-12(17)14-9-13-11/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyWCIMLKHRFCJQBM-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957604) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957604
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O/c1-15(2)8-10-3-5-16(6-4-10)11-7-12(17)14-9-13-11/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyWCIMLKHRFCJQBM-UHFFFAOYSA-N
XLogP0.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(dimethylamino)methyl]piperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136957604) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is CN(C)CC1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WCIMLKHRFCJQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)8-10-3-5-16(6-4-10)11-7-12(17)14-9-13-11/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,17).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).