2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide

C11H9Br2N3OS — CID 107962014

IUPAC2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)sc2Br)n1
InChIInChI=1S/C11H9Br2N3OS/c1-5-3-6(2)15-11(14-5)16-10(17)7-4-8(12)18-9(7)13/h3-4H,1-2H3,(H,14,15,16,17)
InChIKeyPIJLGVVTUWETOA-UHFFFAOYSA-N
MW391.09 g/mol
LogP3.93
Rot. Bonds2

About 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide

2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide (PubChem CID 107962014) has the molecular formula C11H9Br2N3OS and a molecular weight of 391.09 g/mol. Its IUPAC name is 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
PubChem CID107962014
Molecular FormulaC11H9Br2N3OS
Molecular Weight391.09 g/mol
Exact Mass388.88
IUPAC Name2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)sc2Br)n1
InChIInChI=1S/C11H9Br2N3OS/c1-5-3-6(2)15-11(14-5)16-10(17)7-4-8(12)18-9(7)13/h3-4H,1-2H3,(H,14,15,16,17)
InChIKeyPIJLGVVTUWETOA-UHFFFAOYSA-N
XLogP3.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-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

5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide
CID 79999578
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738893
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119
N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959498
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 113237224
4-[(2,5-dibromothiophene-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107949461
2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
CID 113237216

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide (CID 107962014) is 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(Br)sc2Br)n1.
What is the InChIKey of 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide?
The InChIKey is PIJLGVVTUWETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3OS/c1-5-3-6(2)15-11(14-5)16-10(17)7-4-8(12)18-9(7)13/h3-4H,1-2H3,(H,14,15,16,17).
What are the key properties of 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide?
2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide has a molecular weight of 391.09 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107962014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).