4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one

C11H18N4O — CID 136978409

IUPAC4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCNCC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-9(6-10(16)14-8)15-5-4-12-7-11(15,2)3/h6,12H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyVLYUFDRBJJONIT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.27
Rot. Bonds1

About 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136978409) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136978409
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCNCC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-9(6-10(16)14-8)15-5-4-12-7-11(15,2)3/h6,12H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyVLYUFDRBJJONIT-UHFFFAOYSA-N
XLogP0.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-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-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136978409) is 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCNCC2(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VLYUFDRBJJONIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-13-9(6-10(16)14-8)15-5-4-12-7-11(15,2)3/h6,12H,4-5,7H2,1-3H3,(H,13,14,16).
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).