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

C8H6BrFN4 — CID 164659972

IUPAC5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine
SMILESFc1nc(Cn2ccnc2)ncc1Br
InChIInChI=1S/C8H6BrFN4/c9-6-3-12-7(13-8(6)10)4-14-2-1-11-5-14/h1-3,5H,4H2
InChIKeyZOCTWRKWISSXEK-UHFFFAOYSA-N
MW257.07 g/mol
LogP1.62
Rot. Bonds2

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

5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine (PubChem CID 164659972) has the molecular formula C8H6BrFN4 and a molecular weight of 257.07 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine
PubChem CID164659972
Molecular FormulaC8H6BrFN4
Molecular Weight257.07 g/mol
Exact Mass255.98
IUPAC Name5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine
SMILESFc1nc(Cn2ccnc2)ncc1Br
InChIInChI=1S/C8H6BrFN4/c9-6-3-12-7(13-8(6)10)4-14-2-1-11-5-14/h1-3,5H,4H2
InChIKeyZOCTWRKWISSXEK-UHFFFAOYSA-N
XLogP1.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 51.62
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-(imidazol-1-ylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine (CID 164659972) is 5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine is Fc1nc(Cn2ccnc2)ncc1Br.
What is the InChIKey of 5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine?
The InChIKey is ZOCTWRKWISSXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN4/c9-6-3-12-7(13-8(6)10)4-14-2-1-11-5-14/h1-3,5H,4H2.
What are the key properties of 5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine?
5-bromo-4-fluoro-2-(imidazol-1-ylmethyl)pyrimidine has a molecular weight of 257.07 g/mol, XLogP of 1.62, 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-(imidazol-1-ylmethyl)pyrimidine is sourced from PubChem (CID 164659972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).