N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide

C16H16BrN3O — CID 163358449

IUPACN-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(C3CC3)n2)c(Br)c1
InChIInChI=1S/C16H16BrN3O/c1-9-3-6-13(12(17)7-9)20-16(21)14-8-10(2)18-15(19-14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,20,21)
InChIKeyAFYFICSJKCJJKD-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.99
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide (PubChem CID 163358449) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide
PubChem CID163358449
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC NameN-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(C3CC3)n2)c(Br)c1
InChIInChI=1S/C16H16BrN3O/c1-9-3-6-13(12(17)7-9)20-16(21)14-8-10(2)18-15(19-14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,20,21)
InChIKeyAFYFICSJKCJJKD-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333387
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
CID 146080117
2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide
CID 146080226
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
N-(2-bromo-4-methylphenyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 47425875

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide (CID 163358449) is N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc(C3CC3)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is AFYFICSJKCJJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-9-3-6-13(12(17)7-9)20-16(21)14-8-10(2)18-15(19-14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 346.23 g/mol, XLogP of 3.99, 3 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)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 163358449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).