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

C15H16BrN3OS — CID 17014124

IUPAC5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
SMILESCCSc1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C15H16BrN3OS/c1-4-21-15-17-8-11(16)13(19-15)14(20)18-12-7-9(2)5-6-10(12)3/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyPXCURCPCBQXTPI-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.22
Rot. Bonds4

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

5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide (PubChem CID 17014124) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
PubChem CID17014124
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
SMILESCCSc1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C15H16BrN3OS/c1-4-21-15-17-8-11(16)13(19-15)14(20)18-12-7-9(2)5-6-10(12)3/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyPXCURCPCBQXTPI-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 17014297
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683959
N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
N-(2,5-dimethylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474800
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
4-[(5-bromo-2-propylsulfanylpyrimidine-4-carbonyl)amino]butanoic acid
CID 51065755

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide (CID 17014124) is 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is CCSc1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1.
What is the InChIKey of 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
The InChIKey is PXCURCPCBQXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c1-4-21-15-17-8-11(16)13(19-15)14(20)18-12-7-9(2)5-6-10(12)3/h5-8H,4H2,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide?
5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 4.22, 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-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 17014124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).