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

C23H23N3O — CID 11348867

IUPACN-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C23H23N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)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)
InChIKeyIBKAQSVTVQTIDD-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.33
Rot. Bonds4

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

N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide (PubChem CID 11348867) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide
PubChem CID11348867
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C23H23N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)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)
InChIKeyIBKAQSVTVQTIDD-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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Related Compounds

Luf-5735
CID 11392960
4-Amino-2,6-diphenylpyrimidine
CID 619020
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide (CID 11348867) is N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide is O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide?
The InChIKey is IBKAQSVTVQTIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)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-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide?
N-(2,6-diphenylpyrimidin-4-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-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 11348867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).