N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide

C13H12BrN3O — CID 110862863

IUPACN-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C13H12BrN3O/c1-8-6-12(16-9(2)15-8)13(18)17-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,17,18)
InChIKeyYUNIFTCHDXUGKQ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.11
Rot. Bonds2

About N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110862863) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110862863
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C13H12BrN3O/c1-8-6-12(16-9(2)15-8)13(18)17-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,17,18)
InChIKeyYUNIFTCHDXUGKQ-UHFFFAOYSA-N
XLogP3.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320193
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
N-(3-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329959
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048
N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576868

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110862863) is N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(Br)c2)nc(C)n1.
What is the InChIKey of N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is YUNIFTCHDXUGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-6-12(16-9(2)15-8)13(18)17-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110862863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).