N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide

C12H9BrClN3OS — CID 18858793

IUPACN-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2Br)c(Cl)n1
InChIInChI=1S/C12H9BrClN3OS/c1-19-12-15-6-7(10(14)17-12)11(18)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,18)
InChIKeyVEECLAABXJWHOT-UHFFFAOYSA-N
MW358.65 g/mol
LogP3.87
Rot. Bonds3

About N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide

N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 18858793) has the molecular formula C12H9BrClN3OS and a molecular weight of 358.65 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID18858793
Molecular FormulaC12H9BrClN3OS
Molecular Weight358.65 g/mol
Exact Mass356.93
IUPAC NameN-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2Br)c(Cl)n1
InChIInChI=1S/C12H9BrClN3OS/c1-19-12-15-6-7(10(14)17-12)11(18)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,18)
InChIKeyVEECLAABXJWHOT-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858718
4-chloro-2-methylsulfanyl-N-(2,4,6-trichlorophenyl)pyrimidine-5-carboxamide
CID 155195547
N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913823
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871
N-(2-bromophenyl)quinoxaline-2-carboxamide
CID 17429565
5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128
5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 43052974
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
4-chloro-N-ethyl-2-methylsulfanyl-N-naphthalen-1-ylpyrimidine-5-carboxamide
CID 18858836
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110862839
N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138521421

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide (CID 18858793) is N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2ccccc2Br)c(Cl)n1.
What is the InChIKey of N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is VEECLAABXJWHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3OS/c1-19-12-15-6-7(10(14)17-12)11(18)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,18).
What are the key properties of N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide?
N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 358.65 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 18858793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).