(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone

C24H26N4O — CID 146074737

IUPAC(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1ncnc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C
InChIInChI=1S/C24H26N4O/c1-18-19(2)25-17-26-22(18)24(29)28-15-13-27(14-16-28)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17,23H,13-16H2,1-2H3
InChIKeySAWHGRFYSYOKTP-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.64
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone (PubChem CID 146074737) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone
PubChem CID146074737
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1ncnc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C
InChIInChI=1S/C24H26N4O/c1-18-19(2)25-17-26-22(18)24(29)28-15-13-27(14-16-28)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17,23H,13-16H2,1-2H3
InChIKeySAWHGRFYSYOKTP-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzhydrylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 53270719
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
4-(4-benzhydrylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 51545065
(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100045
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480
(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094263
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
(4-benzhydrylpiperazin-1-yl)-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone
CID 39080626
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
(4-benzhydrylpiperazin-1-yl)-[5-(4-fluorophenyl)-2H-triazol-4-yl]methanone
CID 131701861

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone (CID 146074737) is (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone is Cc1ncnc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone?
The InChIKey is SAWHGRFYSYOKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-19(2)25-17-26-22(18)24(29)28-15-13-27(14-16-28)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17,23H,13-16H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone is sourced from PubChem (CID 146074737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).