N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide

C23H23N3O — CID 11428282

IUPACN-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C23H23N3O/c27-22(19-14-8-3-9-15-19)26-23-24-20(17-10-4-1-5-11-17)16-21(25-23)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,24,25,26,27)
InChIKeyGGZRKRPYGJABPL-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.33
Rot. Bonds4

About N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide

N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide (PubChem CID 11428282) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide
PubChem CID11428282
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C23H23N3O/c27-22(19-14-8-3-9-15-19)26-23-24-20(17-10-4-1-5-11-17)16-21(25-23)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,24,25,26,27)
InChIKeyGGZRKRPYGJABPL-UHFFFAOYSA-N
XLogP5.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide (CID 11428282) is N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide is O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide?
The InChIKey is GGZRKRPYGJABPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-22(19-14-8-3-9-15-19)26-23-24-20(17-10-4-1-5-11-17)16-21(25-23)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,24,25,26,27).
What are the key properties of N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide?
N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide has a molecular weight of 357.46 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 11428282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).