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

C11H10BrN3O2 — CID 924676

IUPAC5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C11H10BrN3O2/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)
InChIKeyZUTLMRYDQCQFSZ-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.70
Rot. Bonds2

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

5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide (PubChem CID 924676) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
PubChem CID924676
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C11H10BrN3O2/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)
InChIKeyZUTLMRYDQCQFSZ-UHFFFAOYSA-N
XLogP2.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.70
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)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide (CID 924676) is 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is ZUTLMRYDQCQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/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)furan-2-carboxamide?
5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.70, 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)furan-2-carboxamide is sourced from PubChem (CID 924676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).