6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine

C9H7BrFN5 — CID 112681578

IUPAC6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C9H7BrFN5/c10-5-2-1-4(3-6(5)11)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKeyFVZHPLRNVQEXQF-UHFFFAOYSA-N
MW284.09 g/mol
LogP1.60
Rot. Bonds1

About 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine

6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681578) has the molecular formula C9H7BrFN5 and a molecular weight of 284.09 g/mol. Its IUPAC name is 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681578
Molecular FormulaC9H7BrFN5
Molecular Weight284.09 g/mol
Exact Mass282.99
IUPAC Name6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C9H7BrFN5/c10-5-2-1-4(3-6(5)11)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKeyFVZHPLRNVQEXQF-UHFFFAOYSA-N
XLogP1.60
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine
CID 81436237
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201580
2-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine
CID 81440933
[2-(4-bromo-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 81441244
4-(3-fluoro-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 63867429
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
CID 66304664
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681459
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 81442424

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 112681578) is 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(Br)c(F)c2)n1.
What is the InChIKey of 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FVZHPLRNVQEXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN5/c10-5-2-1-4(3-6(5)11)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16).
What are the key properties of 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 284.09 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).