4-phenylpyrimidine-2-carboxamide

C11H9N3O — CID 68541218

IUPAC4-phenylpyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H9N3O/c12-10(15)11-13-7-6-9(14-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyXNEUMNKLWSLQOH-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.24
Rot. Bonds2

About 4-phenylpyrimidine-2-carboxamide

4-phenylpyrimidine-2-carboxamide (PubChem CID 68541218) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-phenylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-phenylpyrimidine-2-carboxamide
PubChem CID68541218
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name4-phenylpyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H9N3O/c12-10(15)11-13-7-6-9(14-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyXNEUMNKLWSLQOH-UHFFFAOYSA-N
XLogP1.24
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)pyrimidine-2-carboxamide
CID 116903987
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
4-iodopyrimidine-2-carboxamide
CID 133055653
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
CID 116904054
4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
CID 116904079
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide
CID 116904013
2,4-diphenylpyrimidine;yttrium
CID 59738567
4-(3-carbamimidoylphenyl)pyrimidine-2-carboximidamide
CID 11776427
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide
CID 166432284
4-phenylpyrimidine-2-sulfonic acid
CID 140969909
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782

Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrimidine-2-carboxamide?
The IUPAC name of 4-phenylpyrimidine-2-carboxamide (CID 68541218) is 4-phenylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-phenylpyrimidine-2-carboxamide?
The canonical SMILES for 4-phenylpyrimidine-2-carboxamide is NC(=O)c1nccc(-c2ccccc2)n1.
What is the InChIKey of 4-phenylpyrimidine-2-carboxamide?
The InChIKey is XNEUMNKLWSLQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-10(15)11-13-7-6-9(14-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15).
What are the key properties of 4-phenylpyrimidine-2-carboxamide?
4-phenylpyrimidine-2-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrimidine-2-carboxamide is sourced from PubChem (CID 68541218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).