4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H14Br2N4O2 — CID 80871301

IUPAC4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(Oc2ccc(Br)cc2Br)nc(OC(C)C)n1
InChIInChI=1S/C13H14Br2N4O2/c1-7(2)20-12-17-11(16-3)18-13(19-12)21-10-5-4-8(14)6-9(10)15/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyRRBQXMNCFKPDDW-UHFFFAOYSA-N
MW418.09 g/mol
LogP4.02
Rot. Bonds5

About 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80871301) has the molecular formula C13H14Br2N4O2 and a molecular weight of 418.09 g/mol. Its IUPAC name is 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80871301
Molecular FormulaC13H14Br2N4O2
Molecular Weight418.09 g/mol
Exact Mass415.95
IUPAC Name4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(Oc2ccc(Br)cc2Br)nc(OC(C)C)n1
InChIInChI=1S/C13H14Br2N4O2/c1-7(2)20-12-17-11(16-3)18-13(19-12)21-10-5-4-8(14)6-9(10)15/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyRRBQXMNCFKPDDW-UHFFFAOYSA-N
XLogP4.02
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.09
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869293
4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107287473
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80800480
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654
2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814615
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80890265
4-(2,5-dimethylpyrazol-3-yl)oxy-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 81346559
[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80925336
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80871301) is 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(Oc2ccc(Br)cc2Br)nc(OC(C)C)n1.
What is the InChIKey of 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is RRBQXMNCFKPDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N4O2/c1-7(2)20-12-17-11(16-3)18-13(19-12)21-10-5-4-8(14)6-9(10)15/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 418.09 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).