5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide

C13H10BrCl2N3OS — CID 17014297

IUPAC5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
SMILESCCSc1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H10BrCl2N3OS/c1-2-21-13-17-6-8(14)11(19-13)12(20)18-10-5-7(15)3-4-9(10)16/h3-6H,2H2,1H3,(H,18,20)
InChIKeyGJSSDPGRDFDJCR-UHFFFAOYSA-N
MW407.12 g/mol
LogP4.91
Rot. Bonds4

About 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide

5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide (PubChem CID 17014297) has the molecular formula C13H10BrCl2N3OS and a molecular weight of 407.12 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
PubChem CID17014297
Molecular FormulaC13H10BrCl2N3OS
Molecular Weight407.12 g/mol
Exact Mass404.91
IUPAC Name5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
SMILESCCSc1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H10BrCl2N3OS/c1-2-21-13-17-6-8(14)11(19-13)12(20)18-10-5-7(15)3-4-9(10)16/h3-6H,2H2,1H3,(H,18,20)
InChIKeyGJSSDPGRDFDJCR-UHFFFAOYSA-N
XLogP4.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.12
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 17014124
5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide
CID 35342766
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 175980311
5-bromo-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide
CID 35579565
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692026
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide (CID 17014297) is 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is CCSc1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The InChIKey is GJSSDPGRDFDJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3OS/c1-2-21-13-17-6-8(14)11(19-13)12(20)18-10-5-7(15)3-4-9(10)16/h3-6H,2H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide has a molecular weight of 407.12 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 17014297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).