3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one

C18H24N4O — CID 45484902

IUPAC3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one
SMILESC[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-14-13-19-10-11-22(14)17-12-18(23)21(2)16(20-17)9-8-15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3/t14-/m1/s1
InChIKeyVMEUQGLLCWFUPL-CQSZACIVSA-N
MW312.42 g/mol
LogP1.36
Rot. Bonds4

About 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one

3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one (PubChem CID 45484902) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one
PubChem CID45484902
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one
SMILESC[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-14-13-19-10-11-22(14)17-12-18(23)21(2)16(20-17)9-8-15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3/t14-/m1/s1
InChIKeyVMEUQGLLCWFUPL-CQSZACIVSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-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 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one (CID 45484902) is 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one is C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2)n1.
What is the InChIKey of 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is VMEUQGLLCWFUPL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-13-19-10-11-22(14)17-12-18(23)21(2)16(20-17)9-8-15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one?
3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 312.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 45484902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).