4-(2,4-dibromoimidazol-1-yl)pyrimidine

C7H4Br2N4 — CID 172993706

IUPAC4-(2,4-dibromoimidazol-1-yl)pyrimidine
SMILESBrc1cn(-c2ccncn2)c(Br)n1
InChIInChI=1S/C7H4Br2N4/c8-5-3-13(7(9)12-5)6-1-2-10-4-11-6/h1-4H
InChIKeyYFSHNBVZLUIQPJ-UHFFFAOYSA-N
MW303.95 g/mol
LogP2.19
Rot. Bonds1

About 4-(2,4-dibromoimidazol-1-yl)pyrimidine

4-(2,4-dibromoimidazol-1-yl)pyrimidine (PubChem CID 172993706) has the molecular formula C7H4Br2N4 and a molecular weight of 303.95 g/mol. Its IUPAC name is 4-(2,4-dibromoimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,4-dibromoimidazol-1-yl)pyrimidine
PubChem CID172993706
Molecular FormulaC7H4Br2N4
Molecular Weight303.95 g/mol
Exact Mass301.88
IUPAC Name4-(2,4-dibromoimidazol-1-yl)pyrimidine
SMILESBrc1cn(-c2ccncn2)c(Br)n1
InChIInChI=1S/C7H4Br2N4/c8-5-3-13(7(9)12-5)6-1-2-10-4-11-6/h1-4H
InChIKeyYFSHNBVZLUIQPJ-UHFFFAOYSA-N
XLogP2.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.95
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromoimidazol-1-yl)pyrimidine?
The IUPAC name of 4-(2,4-dibromoimidazol-1-yl)pyrimidine (CID 172993706) is 4-(2,4-dibromoimidazol-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,4-dibromoimidazol-1-yl)pyrimidine?
The canonical SMILES for 4-(2,4-dibromoimidazol-1-yl)pyrimidine is Brc1cn(-c2ccncn2)c(Br)n1.
What is the InChIKey of 4-(2,4-dibromoimidazol-1-yl)pyrimidine?
The InChIKey is YFSHNBVZLUIQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N4/c8-5-3-13(7(9)12-5)6-1-2-10-4-11-6/h1-4H.
What are the key properties of 4-(2,4-dibromoimidazol-1-yl)pyrimidine?
4-(2,4-dibromoimidazol-1-yl)pyrimidine has a molecular weight of 303.95 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromoimidazol-1-yl)pyrimidine is sourced from PubChem (CID 172993706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).