[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

C23H24N4O — CID 96581267

IUPAC[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cnc(-c3ccccc3)nc2)[C@@H](C)C1
InChIInChI=1S/C23H24N4O/c1-17-8-6-7-11-21(17)26-12-13-27(18(2)16-26)23(28)20-14-24-22(25-15-20)19-9-4-3-5-10-19/h3-11,14-15,18H,12-13,16H2,1-2H3/t18-/m0/s1
InChIKeyBLHBYZPVLXMMMW-SFHVURJKSA-N
MW372.47 g/mol
LogP3.80
Rot. Bonds3

About [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (PubChem CID 96581267) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
PubChem CID96581267
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cnc(-c3ccccc3)nc2)[C@@H](C)C1
InChIInChI=1S/C23H24N4O/c1-17-8-6-7-11-21(17)26-12-13-27(18(2)16-26)23(28)20-14-24-22(25-15-20)19-9-4-3-5-10-19/h3-11,14-15,18H,12-13,16H2,1-2H3/t18-/m0/s1
InChIKeyBLHBYZPVLXMMMW-SFHVURJKSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone 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

2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
CID 70768716
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 70754475
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 95216606
[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 95872818
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564417

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (CID 96581267) is [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is Cc1ccccc1N1CCN(C(=O)c2cnc(-c3ccccc3)nc2)[C@@H](C)C1.
What is the InChIKey of [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The InChIKey is BLHBYZPVLXMMMW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-8-6-7-11-21(17)26-12-13-27(18(2)16-26)23(28)20-14-24-22(25-15-20)19-9-4-3-5-10-19/h3-11,14-15,18H,12-13,16H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 96581267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).