[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 121496815

IUPAC[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCNc1nc(C)cc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C23H25N5O/c1-17-16-21(26-23(24-2)25-17)18-8-10-19(11-9-18)22(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyWHMLTCMQZKSTLS-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.46
Rot. Bonds4

About [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone

[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 121496815) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID121496815
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCNc1nc(C)cc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C23H25N5O/c1-17-16-21(26-23(24-2)25-17)18-8-10-19(11-9-18)22(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyWHMLTCMQZKSTLS-UHFFFAOYSA-N
XLogP3.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58599465
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331558
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 22431925
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
N-[4-[2-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 24878247

Frequently Asked Questions

What is the IUPAC name of [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 121496815) is [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone is CNc1nc(C)cc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n1.
What is the InChIKey of [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WHMLTCMQZKSTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-16-21(26-23(24-2)25-17)18-8-10-19(11-9-18)22(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26).
What are the key properties of [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 121496815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).