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

C13H15BrFN5O — CID 107604531

IUPAC2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2c(F)cccc2Br)nc(OC)n1
InChIInChI=1S/C13H15BrFN5O/c1-3-7-16-11-18-12(20-13(19-11)21-2)17-10-8(14)5-4-6-9(10)15/h4-6H,3,7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyQVOFPOXRUSWIEH-UHFFFAOYSA-N
MW356.20 g/mol
LogP3.35
Rot. Bonds6

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

2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 107604531) has the molecular formula C13H15BrFN5O and a molecular weight of 356.20 g/mol. Its IUPAC name is 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID107604531
Molecular FormulaC13H15BrFN5O
Molecular Weight356.20 g/mol
Exact Mass355.04
IUPAC Name2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2c(F)cccc2Br)nc(OC)n1
InChIInChI=1S/C13H15BrFN5O/c1-3-7-16-11-18-12(20-13(19-11)21-2)17-10-8(14)5-4-6-9(10)15/h4-6H,3,7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyQVOFPOXRUSWIEH-UHFFFAOYSA-N
XLogP3.35
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 107604531) is 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2c(F)cccc2Br)nc(OC)n1.
What is the InChIKey of 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QVOFPOXRUSWIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN5O/c1-3-7-16-11-18-12(20-13(19-11)21-2)17-10-8(14)5-4-6-9(10)15/h4-6H,3,7H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 356.20 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107604531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).