2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C12H19FN4O — CID 137011837

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(CC2CN(C)CCN2C)[nH]c(=O)c1F
InChIInChI=1S/C12H19FN4O/c1-8-11(13)12(18)15-10(14-8)6-9-7-16(2)4-5-17(9)3/h9H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyJMWMBBFWXKOZBF-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.01
Rot. Bonds2

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 137011837) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID137011837
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(CC2CN(C)CCN2C)[nH]c(=O)c1F
InChIInChI=1S/C12H19FN4O/c1-8-11(13)12(18)15-10(14-8)6-9-7-16(2)4-5-17(9)3/h9H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyJMWMBBFWXKOZBF-UHFFFAOYSA-N
XLogP0.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-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 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 137011837) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(CC2CN(C)CCN2C)[nH]c(=O)c1F.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JMWMBBFWXKOZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-8-11(13)12(18)15-10(14-8)6-9-7-16(2)4-5-17(9)3/h9H,4-7H2,1-3H3,(H,14,15,18).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 254.31 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).