5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine

C10H10BrN3 — CID 3276508

IUPAC5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine
SMILESCc1ccc(C)n1-c1ncc(Br)cn1
InChIInChI=1S/C10H10BrN3/c1-7-3-4-8(2)14(7)10-12-5-9(11)6-13-10/h3-6H,1-2H3
InChIKeyXYZFEPXCFRSNPT-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.65
Rot. Bonds1

About 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine

5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine (PubChem CID 3276508) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine
PubChem CID3276508
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine
SMILESCc1ccc(C)n1-c1ncc(Br)cn1
InChIInChI=1S/C10H10BrN3/c1-7-3-4-8(2)14(7)10-12-5-9(11)6-13-10/h3-6H,1-2H3
InChIKeyXYZFEPXCFRSNPT-UHFFFAOYSA-N
XLogP2.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine (CID 3276508) is 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine is Cc1ccc(C)n1-c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine?
The InChIKey is XYZFEPXCFRSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-3-4-8(2)14(7)10-12-5-9(11)6-13-10/h3-6H,1-2H3.
What are the key properties of 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine?
5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine has a molecular weight of 252.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine is sourced from PubChem (CID 3276508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).