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

C12H13BrFN5 — CID 79743592

IUPAC6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(-c2cc(Br)ccc2F)nc(N(C)C)n1
InChIInChI=1S/C12H13BrFN5/c1-15-11-16-10(17-12(18-11)19(2)3)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyGMVKIUJSRWNDTO-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.55
Rot. Bonds3

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

6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 79743592) has the molecular formula C12H13BrFN5 and a molecular weight of 326.17 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID79743592
Molecular FormulaC12H13BrFN5
Molecular Weight326.17 g/mol
Exact Mass325.03
IUPAC Name6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(-c2cc(Br)ccc2F)nc(N(C)C)n1
InChIInChI=1S/C12H13BrFN5/c1-15-11-16-10(17-12(18-11)19(2)3)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyGMVKIUJSRWNDTO-UHFFFAOYSA-N
XLogP2.55
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 79743592) is 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(-c2cc(Br)ccc2F)nc(N(C)C)n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GMVKIUJSRWNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN5/c1-15-11-16-10(17-12(18-11)19(2)3)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,16,17,18).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 326.17 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79743592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).