4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine

C12H12BrFN4O — CID 106646818

IUPAC4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-c2cccc(Br)c2F)n1
InChIInChI=1S/C12H12BrFN4O/c1-2-6-19-12-17-10(16-11(15)18-12)7-4-3-5-8(13)9(7)14/h3-5H,2,6H2,1H3,(H2,15,16,17,18)
InChIKeyQSJLUNSJTNTGON-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.81
Rot. Bonds4

About 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine

4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 106646818) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID106646818
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-c2cccc(Br)c2F)n1
InChIInChI=1S/C12H12BrFN4O/c1-2-6-19-12-17-10(16-11(15)18-12)7-4-3-5-8(13)9(7)14/h3-5H,2,6H2,1H3,(H2,15,16,17,18)
InChIKeyQSJLUNSJTNTGON-UHFFFAOYSA-N
XLogP2.81
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 115503747
4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80870082
6-(2-fluoro-3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 112681364
4-(3-bromo-5-fluorophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 81325572
6-propoxy-2-N-(2,3,4-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80748779
2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82803713
4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 63868723
2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
2-N-(4-bromo-2,3-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 107794817

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 106646818) is 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(-c2cccc(Br)c2F)n1.
What is the InChIKey of 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is QSJLUNSJTNTGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-2-6-19-12-17-10(16-11(15)18-12)7-4-3-5-8(13)9(7)14/h3-5H,2,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 327.16 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106646818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).