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

C9H7BrFN5 — CID 2730312

IUPAC2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C9H7BrFN5/c10-6-3-5(11)1-2-7(6)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyKEMMONKDKQVSBQ-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.10
Rot. Bonds2

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

2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2730312) has the molecular formula C9H7BrFN5 and a molecular weight of 284.09 g/mol. Its IUPAC name is 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2730312
Molecular FormulaC9H7BrFN5
Molecular Weight284.09 g/mol
Exact Mass282.99
IUPAC Name2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C9H7BrFN5/c10-6-3-5(11)1-2-7(6)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyKEMMONKDKQVSBQ-UHFFFAOYSA-N
XLogP2.10
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 2730312) is 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KEMMONKDKQVSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN5/c10-6-3-5(11)1-2-7(6)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16).
What are the key properties of 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 284.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2730312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).