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

C20H17N3O — CID 11461202

IUPACN-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C20H17N3O/c24-20(16-11-12-16)23-18-13-17(14-7-3-1-4-8-14)21-19(22-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24)
InChIKeyUOAGLWXCVMDEEN-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.16
Rot. Bonds4

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

N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide (PubChem CID 11461202) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide
PubChem CID11461202
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C20H17N3O/c24-20(16-11-12-16)23-18-13-17(14-7-3-1-4-8-14)21-19(22-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24)
InChIKeyUOAGLWXCVMDEEN-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11278089
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide (CID 11461202) is N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide is O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CC1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide?
The InChIKey is UOAGLWXCVMDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(16-11-12-16)23-18-13-17(14-7-3-1-4-8-14)21-19(22-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide?
N-(2,6-diphenylpyrimidin-4-yl)cyclopropanecarboxamide has a molecular weight of 315.38 g/mol, XLogP of 4.16, 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)cyclopropanecarboxamide is sourced from PubChem (CID 11461202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).