3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

C17H24N6O — CID 25005990

IUPAC3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC(C)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1
InChIInChI=1S/C17H24N6O/c1-12(2)22-7-8-23(13(3)10-22)17-20-15(9-16(24)21(17)4)14-5-6-18-11-19-14/h5-6,9,11-13H,7-8,10H2,1-4H3/t13-/m1/s1
InChIKeyOBUNOMXJTPRCSU-CYBMUJFWSA-N
MW328.42 g/mol
LogP1.16
Rot. Bonds3

About 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25005990) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25005990
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC(C)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1
InChIInChI=1S/C17H24N6O/c1-12(2)22-7-8-23(13(3)10-22)17-20-15(9-16(24)21(17)4)14-5-6-18-11-19-14/h5-6,9,11-13H,7-8,10H2,1-4H3/t13-/m1/s1
InChIKeyOBUNOMXJTPRCSU-CYBMUJFWSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-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

Related Compounds

2-[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005631
2-[(2R)-4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005985
2-[(2R)-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005986
1-methyl-2-((2R)-2-methyl-piperazin-1-yl)-1H-[4,4']bipyrimidinyl-6-one
CID 25004596
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004927
2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004929
2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005271
3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005272
methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 25005627
2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005628
3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005629
2-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25006369

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (CID 25005990) is 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is CC(C)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1.
What is the InChIKey of 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is OBUNOMXJTPRCSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)22-7-8-23(13(3)10-22)17-20-15(9-16(24)21(17)4)14-5-6-18-11-19-14/h5-6,9,11-13H,7-8,10H2,1-4H3/t13-/m1/s1.
What are the key properties of 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25005990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).