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

C12H9BrN6O — CID 80864029

IUPAC4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccc(Br)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H9BrN6O/c13-8-1-3-9(4-2-8)20-12-17-10(14)16-11(18-12)19-6-5-15-7-19/h1-7H,(H2,14,16,17,18)
InChIKeyLETYHHBVYBVXQV-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.19
Rot. Bonds3

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

4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80864029) has the molecular formula C12H9BrN6O and a molecular weight of 333.15 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80864029
Molecular FormulaC12H9BrN6O
Molecular Weight333.15 g/mol
Exact Mass332.00
IUPAC Name4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccc(Br)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H9BrN6O/c13-8-1-3-9(4-2-8)20-12-17-10(14)16-11(18-12)19-6-5-15-7-19/h1-7H,(H2,14,16,17,18)
InChIKeyLETYHHBVYBVXQV-UHFFFAOYSA-N
XLogP2.19
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-Bromophenoxy)ethyl]-1H-imidazole
CID 867248
1-(2-(3-Bromophenoxy)Ethyl)-1H-Imidazole
CID 803108
1-[6-(4-Bromophenoxy)hexyl]imidazole
CID 2843859
1-(4-(3-bromophenoxy)butyl)-1H-imidazole
CID 44586265
1-[4-(4-Bromophenoxy)butyl]imidazole
CID 2843665
1-(4-(2-bromophenoxy)butyl)-1H-imidazole
CID 2843697
1-(3-(4-bromophenoxy)propyl)-1H-imidazole
CID 2843772
Cambridge id 7017285
CID 2924021
1-[6-(3-Bromophenoxy)hexyl]imidazole
CID 118733121
2-(4-Bromophenoxy)-1-(2,2-difluoroethyl)imidazole
CID 68280611
2-(4-Bromo-2-fluorophenoxy)-1-methylimidazole
CID 68280612
Phenyl 1H-imidazole-1-carboximidate
CID 15497945

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80864029) is 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2ccc(Br)cc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is LETYHHBVYBVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN6O/c13-8-1-3-9(4-2-8)20-12-17-10(14)16-11(18-12)19-6-5-15-7-19/h1-7H,(H2,14,16,17,18).
What are the key properties of 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 333.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80864029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).