4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H15BrN4O2 — CID 107287473

IUPAC4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(Br)cc1Oc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C13H15BrN4O2/c1-7(2)19-12-16-11(15)17-13(18-12)20-10-6-9(14)5-4-8(10)3/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyMMMXHLKYKNGUKJ-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.10
Rot. Bonds4

About 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 107287473) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID107287473
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(Br)cc1Oc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C13H15BrN4O2/c1-7(2)19-12-16-11(15)17-13(18-12)20-10-6-9(14)5-4-8(10)3/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyMMMXHLKYKNGUKJ-UHFFFAOYSA-N
XLogP3.10
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80863931
2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 107284442
4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862644
2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869293
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80800480
4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871301
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 107287620
4-bromo-2-propan-2-yloxyaniline
CID 50998232
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 107287473) is 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1ccc(Br)cc1Oc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is MMMXHLKYKNGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-7(2)19-12-16-11(15)17-13(18-12)20-10-6-9(14)5-4-8(10)3/h4-7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 339.19 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107287473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).