N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide

C12H10BrN3O — CID 110862940

IUPACN-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cncnc2)c(Br)c1
InChIInChI=1S/C12H10BrN3O/c1-8-2-3-11(10(13)4-8)16-12(17)9-5-14-7-15-6-9/h2-7H,1H3,(H,16,17)
InChIKeyRTWIKALFDFQAJJ-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide

N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 110862940) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID110862940
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cncnc2)c(Br)c1
InChIInChI=1S/C12H10BrN3O/c1-8-2-3-11(10(13)4-8)16-12(17)9-5-14-7-15-6-9/h2-7H,1H3,(H,16,17)
InChIKeyRTWIKALFDFQAJJ-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101490
5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 109241609
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241092
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249495
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255971

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide (CID 110862940) is N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cncnc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is RTWIKALFDFQAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-2-3-11(10(13)4-8)16-12(17)9-5-14-7-15-6-9/h2-7H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide?
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110862940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).