5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine

C9H8BrFN4 — CID 164659964

IUPAC5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine
SMILESCc1nccn1Cc1ncc(Br)c(F)n1
InChIInChI=1S/C9H8BrFN4/c1-6-12-2-3-15(6)5-8-13-4-7(10)9(11)14-8/h2-4H,5H2,1H3
InChIKeyNIZVHDNCZOLTJF-UHFFFAOYSA-N
MW271.09 g/mol
LogP1.93
Rot. Bonds2

About 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine

5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine (PubChem CID 164659964) has the molecular formula C9H8BrFN4 and a molecular weight of 271.09 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine
PubChem CID164659964
Molecular FormulaC9H8BrFN4
Molecular Weight271.09 g/mol
Exact Mass269.99
IUPAC Name5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine
SMILESCc1nccn1Cc1ncc(Br)c(F)n1
InChIInChI=1S/C9H8BrFN4/c1-6-12-2-3-15(6)5-8-13-4-7(10)9(11)14-8/h2-4H,5H2,1H3
InChIKeyNIZVHDNCZOLTJF-UHFFFAOYSA-N
XLogP1.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.93
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-methylimidazol-1-yl)methyl]pyrimidine?
The IUPAC name of 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine (CID 164659964) is 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine?
The canonical SMILES for 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine is Cc1nccn1Cc1ncc(Br)c(F)n1.
What is the InChIKey of 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine?
The InChIKey is NIZVHDNCZOLTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4/c1-6-12-2-3-15(6)5-8-13-4-7(10)9(11)14-8/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine?
5-bromo-4-fluoro-2-[(2-methylimidazol-1-yl)methyl]pyrimidine has a molecular weight of 271.09 g/mol, XLogP of 1.93, 2 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-methylimidazol-1-yl)methyl]pyrimidine is sourced from PubChem (CID 164659964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).