5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one

C23H22N4O2 — CID 70777651

IUPAC5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CC(=O)N(c2ccccc2)CC1C
InChIInChI=1S/C23H22N4O2/c1-16-14-27(19-11-7-4-8-12-19)21(28)15-26(16)23(29)20-13-24-22(25-17(20)2)18-9-5-3-6-10-18/h3-13,16H,14-15H2,1-2H3
InChIKeyVHEOGRKKJMMSCN-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.33
Rot. Bonds3

About 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one

5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one (PubChem CID 70777651) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one
PubChem CID70777651
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CC(=O)N(c2ccccc2)CC1C
InChIInChI=1S/C23H22N4O2/c1-16-14-27(19-11-7-4-8-12-19)21(28)15-26(16)23(29)20-13-24-22(25-17(20)2)18-9-5-3-6-10-18/h3-13,16H,14-15H2,1-2H3
InChIKeyVHEOGRKKJMMSCN-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041
(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042
(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
CID 128984238
1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136567066
(5S)-5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
CID 96577698
5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
CID 70755027
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707392
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
CID 70729577
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
5-methyl-1-(4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-2-one
CID 70751338

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one?
The IUPAC name of 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one (CID 70777651) is 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one.
What is the SMILES notation for 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one?
The canonical SMILES for 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one is Cc1nc(-c2ccccc2)ncc1C(=O)N1CC(=O)N(c2ccccc2)CC1C.
What is the InChIKey of 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one?
The InChIKey is VHEOGRKKJMMSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-14-27(19-11-7-4-8-12-19)21(28)15-26(16)23(29)20-13-24-22(25-17(20)2)18-9-5-3-6-10-18/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one?
5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one is sourced from PubChem (CID 70777651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).