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

C11H10BrN3OS — CID 2970730

IUPAC5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C11H10BrN3OS/c1-6-5-7(2)14-11(13-6)15-10(16)8-3-4-9(12)17-8/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyNGAWLZUGIJIFKR-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.17
Rot. Bonds2

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

5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 2970730) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID2970730
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C11H10BrN3OS/c1-6-5-7(2)14-11(13-6)15-10(16)8-3-4-9(12)17-8/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyNGAWLZUGIJIFKR-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide (CID 2970730) is 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is NGAWLZUGIJIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-6-5-7(2)14-11(13-6)15-10(16)8-3-4-9(12)17-8/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide?
5-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.17, 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)thiophene-2-carboxamide is sourced from PubChem (CID 2970730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).