N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

C14H15N3O — CID 110466850

IUPACN-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncnc2)cc1
InChIInChI=1S/C14H15N3O/c1-10(2)11-3-5-13(6-4-11)17-14(18)12-7-15-9-16-8-12/h3-10H,1-2H3,(H,17,18)
InChIKeyGWPSVFWIILHHNL-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.85
Rot. Bonds3

About N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 110466850) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID110466850
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncnc2)cc1
InChIInChI=1S/C14H15N3O/c1-10(2)11-3-5-13(6-4-11)17-14(18)12-7-15-9-16-8-12/h3-10H,1-2H3,(H,17,18)
InChIKeyGWPSVFWIILHHNL-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
5-N-(2-chlorophenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108609
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 110466850) is N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)c1ccc(NC(=O)c2cncnc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is GWPSVFWIILHHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(2)11-3-5-13(6-4-11)17-14(18)12-7-15-9-16-8-12/h3-10H,1-2H3,(H,17,18).
What are the key properties of N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110466850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).