4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H8BrFN6 — CID 79743243

IUPAC4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(Br)ccc2F)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8BrFN6/c13-7-1-2-9(14)8(5-7)10-17-11(15)19-12(18-10)20-4-3-16-6-20/h1-6H,(H2,15,17,18,19)
InChIKeyOBDPWBADUBEIRK-UHFFFAOYSA-N
MW335.14 g/mol
LogP2.21
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 79743243) has the molecular formula C12H8BrFN6 and a molecular weight of 335.14 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID79743243
Molecular FormulaC12H8BrFN6
Molecular Weight335.14 g/mol
Exact Mass334.00
IUPAC Name4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(Br)ccc2F)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8BrFN6/c13-7-1-2-9(14)8(5-7)10-17-11(15)19-12(18-10)20-4-3-16-6-20/h1-6H,(H2,15,17,18,19)
InChIKeyOBDPWBADUBEIRK-UHFFFAOYSA-N
XLogP2.21
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 79743243) is 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(-c2cc(Br)ccc2F)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OBDPWBADUBEIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN6/c13-7-1-2-9(14)8(5-7)10-17-11(15)19-12(18-10)20-4-3-16-6-20/h1-6H,(H2,15,17,18,19).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 335.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79743243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).