5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine

C9H8BrFN4 — CID 164659969

IUPAC5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine
SMILESFc1nc(CCn2ccnc2)ncc1Br
InChIInChI=1S/C9H8BrFN4/c10-7-5-13-8(14-9(7)11)1-3-15-4-2-12-6-15/h2,4-6H,1,3H2
InChIKeyTUCLNYLEDRCXLC-UHFFFAOYSA-N
MW271.09 g/mol
LogP1.82
Rot. Bonds3

About 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine

5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine (PubChem CID 164659969) has the molecular formula C9H8BrFN4 and a molecular weight of 271.09 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine
PubChem CID164659969
Molecular FormulaC9H8BrFN4
Molecular Weight271.09 g/mol
Exact Mass269.99
IUPAC Name5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine
SMILESFc1nc(CCn2ccnc2)ncc1Br
InChIInChI=1S/C9H8BrFN4/c10-7-5-13-8(14-9(7)11)1-3-15-4-2-12-6-15/h2,4-6H,1,3H2
InChIKeyTUCLNYLEDRCXLC-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine?
The IUPAC name of 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine (CID 164659969) is 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine is Fc1nc(CCn2ccnc2)ncc1Br.
What is the InChIKey of 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine?
The InChIKey is TUCLNYLEDRCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4/c10-7-5-13-8(14-9(7)11)1-3-15-4-2-12-6-15/h2,4-6H,1,3H2.
What are the key properties of 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine?
5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine has a molecular weight of 271.09 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(2-imidazol-1-ylethyl)pyrimidine is sourced from PubChem (CID 164659969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).