5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide

C14H12BrCl2N3OS — CID 175980311

IUPAC5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Br)c(C(=O)NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H12BrCl2N3OS/c1-22-14-19-7-10(15)12(20-14)13(21)18-5-4-8-2-3-9(16)6-11(8)17/h2-3,6-7H,4-5H2,1H3,(H,18,21)
InChIKeyRSJFGCAKCGNELA-UHFFFAOYSA-N
MW421.15 g/mol
LogP4.24
Rot. Bonds5

About 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide

5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 175980311) has the molecular formula C14H12BrCl2N3OS and a molecular weight of 421.15 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID175980311
Molecular FormulaC14H12BrCl2N3OS
Molecular Weight421.15 g/mol
Exact Mass418.93
IUPAC Name5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Br)c(C(=O)NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H12BrCl2N3OS/c1-22-14-19-7-10(15)12(20-14)13(21)18-5-4-8-2-3-9(16)6-11(8)17/h2-3,6-7H,4-5H2,1H3,(H,18,21)
InChIKeyRSJFGCAKCGNELA-UHFFFAOYSA-N
XLogP4.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 17014297
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64525006
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
5-bromo-N-[2-[(2,6-dichlorophenyl)hydrazinylidene]propyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 142514638
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide (CID 175980311) is 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Br)c(C(=O)NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is RSJFGCAKCGNELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N3OS/c1-22-14-19-7-10(15)12(20-14)13(21)18-5-4-8-2-3-9(16)6-11(8)17/h2-3,6-7H,4-5H2,1H3,(H,18,21).
What are the key properties of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide?
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 421.15 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 175980311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).