N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide

C15H11N5O — CID 129240132

IUPACN-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)cn1)c1cncnc1
InChIInChI=1S/C15H11N5O/c21-14(13-6-16-10-17-7-13)20-15-18-8-12(9-19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20,21)
InChIKeyQQOOZDICRHRANQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.19
Rot. Bonds3

About N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide

N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide (PubChem CID 129240132) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide
PubChem CID129240132
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC NameN-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)cn1)c1cncnc1
InChIInChI=1S/C15H11N5O/c21-14(13-6-16-10-17-7-13)20-15-18-8-12(9-19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20,21)
InChIKeyQQOOZDICRHRANQ-UHFFFAOYSA-N
XLogP2.19
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acy-738
CID 57381425
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
CID 91844718
2-Phenyl-pyrimidine-5-carboxylic acid benzylamide
CID 16043211
4-Benzylamino-2-[(4-piperidin-1-ylphenyl)amino]pyrimidine-5-carboxamide
CID 44561430
2-((1-(3-fluorophenyl)cyclohexyl)amino)-N-hydroxypyrimidine-5-carboxamide
CID 57382288
N-(5-phenyl-2-pyridinyl)pyridine-3-carboxamide
CID 110634639
N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 129240121
N-[5-(2-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240131
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
CID 129240135
N-{5-[3-(cyclopropylamino)phenyl]pyridin-2-yl}-2-methylpyrimidine-5-carboxamide
CID 129240145
N-[5-(3-chlorophenyl)pyridin-2-yl]pyrimidine-5-carboxamide
CID 129240156

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide (CID 129240132) is N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide is O=C(Nc1ncc(-c2ccccc2)cn1)c1cncnc1.
What is the InChIKey of N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide?
The InChIKey is QQOOZDICRHRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-14(13-6-16-10-17-7-13)20-15-18-8-12(9-19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20,21).
What are the key properties of N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide?
N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpyrimidin-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 129240132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).