5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide

C12H12BrN3OS — CID 79999578

IUPAC5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(C)c(Br)s2)n1
InChIInChI=1S/C12H12BrN3OS/c1-6-4-9(18-10(6)13)11(17)16-12-14-7(2)5-8(3)15-12/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeyQMZLUKCLEGGFMF-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 79999578) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID79999578
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(C)c(Br)s2)n1
InChIInChI=1S/C12H12BrN3OS/c1-6-4-9(18-10(6)13)11(17)16-12-14-7(2)5-8(3)15-12/h4-5H,1-3H3,(H,14,15,16,17)
InChIKeyQMZLUKCLEGGFMF-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 79964883
2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
CID 107962014
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535
5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79947502
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
5-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103745343
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide (CID 79999578) is 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(C)c(Br)s2)n1.
What is the InChIKey of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is QMZLUKCLEGGFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-6-4-9(18-10(6)13)11(17)16-12-14-7(2)5-8(3)15-12/h4-5H,1-3H3,(H,14,15,16,17).
What are the key properties of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79999578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).