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

C12H8BrFN6O — CID 81314424

IUPAC4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cc(F)cc(Br)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8BrFN6O/c13-7-3-8(14)5-9(4-7)21-12-18-10(15)17-11(19-12)20-2-1-16-6-20/h1-6H,(H2,15,17,18,19)
InChIKeyHZVFITNSUDHYRO-UHFFFAOYSA-N
MW351.14 g/mol
LogP2.33
Rot. Bonds3

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

4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 81314424) has the molecular formula C12H8BrFN6O and a molecular weight of 351.14 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID81314424
Molecular FormulaC12H8BrFN6O
Molecular Weight351.14 g/mol
Exact Mass349.99
IUPAC Name4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cc(F)cc(Br)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8BrFN6O/c13-7-3-8(14)5-9(4-7)21-12-18-10(15)17-11(19-12)20-2-1-16-6-20/h1-6H,(H2,15,17,18,19)
InChIKeyHZVFITNSUDHYRO-UHFFFAOYSA-N
XLogP2.33
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-bromo-5-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 81314461
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80865737
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79743243
4-(3-bromo-5-fluorophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 81325572
2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868280
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
2-(4-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436
4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503366
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 81314424) is 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2cc(F)cc(Br)c2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HZVFITNSUDHYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN6O/c13-7-3-8(14)5-9(4-7)21-12-18-10(15)17-11(19-12)20-2-1-16-6-20/h1-6H,(H2,15,17,18,19).
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 351.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 81314424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).