N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide

C14H14BrN3O — CID 110862839

IUPACN-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2Br)c(C)n1
InChIInChI=1S/C14H14BrN3O/c1-8-13(9(2)17-10(3)16-8)14(19)18-12-7-5-4-6-11(12)15/h4-7H,1-3H3,(H,18,19)
InChIKeyVZSZBIYWFIPMPG-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.42
Rot. Bonds2

About N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide

N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide (PubChem CID 110862839) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
PubChem CID110862839
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2Br)c(C)n1
InChIInChI=1S/C14H14BrN3O/c1-8-13(9(2)17-10(3)16-8)14(19)18-12-7-5-4-6-11(12)15/h4-7H,1-3H3,(H,18,19)
InChIKeyVZSZBIYWFIPMPG-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696235
(2-bromophenyl)carbamic acid
CID 15021878
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848531
N-(2-bromophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669960
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide (CID 110862839) is N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccccc2Br)c(C)n1.
What is the InChIKey of N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is VZSZBIYWFIPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-13(9(2)17-10(3)16-8)14(19)18-12-7-5-4-6-11(12)15/h4-7H,1-3H3,(H,18,19).
What are the key properties of N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110862839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).