1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone

C25H28N4O — CID 15871399

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C25H28N4O/c1-18-13-19(2)17-29(16-18)24(30)15-26-23-14-22(20-9-5-3-6-10-20)27-25(28-23)21-11-7-4-8-12-21/h3-12,14,18-19H,13,15-17H2,1-2H3,(H,26,27,28)
InChIKeyYWWMCGHOLYEOMQ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.73
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone (PubChem CID 15871399) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone
PubChem CID15871399
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C25H28N4O/c1-18-13-19(2)17-29(16-18)24(30)15-26-23-14-22(20-9-5-3-6-10-20)27-25(28-23)21-11-7-4-8-12-21/h3-12,14,18-19H,13,15-17H2,1-2H3,(H,26,27,28)
InChIKeyYWWMCGHOLYEOMQ-UHFFFAOYSA-N
XLogP4.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone with MolForge

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Related Compounds

L-375378
CID 154118
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone (CID 15871399) is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone is CC1CC(C)CN(C(=O)CNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone?
The InChIKey is YWWMCGHOLYEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-13-19(2)17-29(16-18)24(30)15-26-23-14-22(20-9-5-3-6-10-20)27-25(28-23)21-11-7-4-8-12-21/h3-12,14,18-19H,13,15-17H2,1-2H3,(H,26,27,28).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone has a molecular weight of 400.53 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone is sourced from PubChem (CID 15871399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).