4-(4-ethylphenyl)pyrimidine-2-carboxamide

C13H13N3O — CID 116903987

IUPAC4-(4-ethylphenyl)pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2ccnc(C(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O/c1-2-9-3-5-10(6-4-9)11-7-8-15-13(16-11)12(14)17/h3-8H,2H2,1H3,(H2,14,17)
InChIKeyHZPGZDCKLAMDHO-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.80
Rot. Bonds3

About 4-(4-ethylphenyl)pyrimidine-2-carboxamide

4-(4-ethylphenyl)pyrimidine-2-carboxamide (PubChem CID 116903987) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(4-ethylphenyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)pyrimidine-2-carboxamide
PubChem CID116903987
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(4-ethylphenyl)pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2ccnc(C(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O/c1-2-9-3-5-10(6-4-9)11-7-8-15-13(16-11)12(14)17/h3-8H,2H2,1H3,(H2,14,17)
InChIKeyHZPGZDCKLAMDHO-UHFFFAOYSA-N
XLogP1.80
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylpyrimidine-2-carboxamide
CID 68541218
4-(4-ethylphenyl)pyrimidine-2-carbonitrile
CID 116900792
4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
CID 116904079
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
CID 116904054
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901466
2-(2-chloroethyl)-4-(4-ethylphenyl)pyrimidine
CID 116899324
4-iodopyrimidine-2-carboxamide
CID 133055653
4-(4-ethylphenyl)benzamide
CID 53425878
ethyl 4-(3,4-difluorophenyl)pyrimidine-2-carboxylate
CID 116903632
2-[4-(4-ethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900943
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(4-ethylphenyl)pyrimidine-2-carboxamide (CID 116903987) is 4-(4-ethylphenyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(4-ethylphenyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(4-ethylphenyl)pyrimidine-2-carboxamide is CCc1ccc(-c2ccnc(C(N)=O)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)pyrimidine-2-carboxamide?
The InChIKey is HZPGZDCKLAMDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-9-3-5-10(6-4-9)11-7-8-15-13(16-11)12(14)17/h3-8H,2H2,1H3,(H2,14,17).
What are the key properties of 4-(4-ethylphenyl)pyrimidine-2-carboxamide?
4-(4-ethylphenyl)pyrimidine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 116903987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).