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

C12H13BrN4O2 — CID 80870082

IUPAC4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C12H13BrN4O2/c1-2-6-18-11-15-10(14)16-12(17-11)19-9-5-3-4-8(13)7-9/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyWXUYKDJSDYZHFN-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.80
Rot. Bonds5

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

4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80870082) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80870082
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C12H13BrN4O2/c1-2-6-18-11-15-10(14)16-12(17-11)19-9-5-3-4-8(13)7-9/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyWXUYKDJSDYZHFN-UHFFFAOYSA-N
XLogP2.80
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
4-(3-bromo-5-fluorophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 81325572
4-(2,4-dimethylphenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80862836
2-N-(3-bromo-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82860518
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601
4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106646818
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine
CID 107723136

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine (CID 80870082) is 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is WXUYKDJSDYZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-2-6-18-11-15-10(14)16-12(17-11)19-9-5-3-4-8(13)7-9/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine?
4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 325.17 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).