4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C13H14BrFN4O — CID 79743156

IUPAC4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H14BrFN4O/c1-3-6-16-12-17-11(18-13(19-12)20-2)9-7-8(14)4-5-10(9)15/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyMPNQVIZKKOWHJW-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.27
Rot. Bonds5

About 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 79743156) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID79743156
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H14BrFN4O/c1-3-6-16-12-17-11(18-13(19-12)20-2)9-7-8(14)4-5-10(9)15/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyMPNQVIZKKOWHJW-UHFFFAOYSA-N
XLogP3.27
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 79743156) is 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is MPNQVIZKKOWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-3-6-16-12-17-11(18-13(19-12)20-2)9-7-8(14)4-5-10(9)15/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 341.18 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79743156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).