N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide

C13H12BrN3O — CID 92648375

IUPACN-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(Br)c2)c(C)n1
InChIInChI=1S/C13H12BrN3O/c1-8-12(7-15-9(2)16-8)13(18)17-11-5-3-4-10(14)6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyKJPWZMNBOZKBFX-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.11
Rot. Bonds2

About N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide

N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 92648375) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID92648375
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(Br)c2)c(C)n1
InChIInChI=1S/C13H12BrN3O/c1-8-12(7-15-9(2)16-8)13(18)17-11-5-3-4-10(14)6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyKJPWZMNBOZKBFX-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

3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide
CID 46964234
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
CID 53492857
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080148
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide (CID 92648375) is N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2cccc(Br)c2)c(C)n1.
What is the InChIKey of N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is KJPWZMNBOZKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-12(7-15-9(2)16-8)13(18)17-11-5-3-4-10(14)6-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide?
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-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)-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 92648375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).