2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone

C25H28N4O — CID 4677117

IUPAC2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H28N4O/c1-18-19(2)26-20(3)27-24(18)28-14-16-29(17-15-28)25(30)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-17H2,1-3H3
InChIKeyIJGRDLJJIYEXNI-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.88
Rot. Bonds4

About 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone

2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 4677117) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID4677117
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H28N4O/c1-18-19(2)26-20(3)27-24(18)28-14-16-29(17-15-28)25(30)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-17H2,1-3H3
InChIKeyIJGRDLJJIYEXNI-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dichloro-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 814898
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 4079517
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 122351609
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081241
1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 3592380
(2S)-1-[4-[5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 93122033
2-phenylmethoxy-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 42774990
(2S)-1-[4-[2-(3-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 93122424
1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 17110283
cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 814901

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 4677117) is 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1nc(C)c(C)c(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is IJGRDLJJIYEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-19(2)26-20(3)27-24(18)28-14-16-29(17-15-28)25(30)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-17H2,1-3H3.
What are the key properties of 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 400.53 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 4677117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).