6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H14BrN5O2 — CID 104708770

IUPAC6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Oc2nc(N)nc(N(C)C)n2)c(Br)c1
InChIInChI=1S/C12H14BrN5O2/c1-18(2)11-15-10(14)16-12(17-11)20-9-5-4-7(19-3)6-8(9)13/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyCQRCGEYEJGVVPG-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.08
Rot. Bonds4

About 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 104708770) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID104708770
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Oc2nc(N)nc(N(C)C)n2)c(Br)c1
InChIInChI=1S/C12H14BrN5O2/c1-18(2)11-15-10(14)16-12(17-11)20-9-5-4-7(19-3)6-8(9)13/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyCQRCGEYEJGVVPG-UHFFFAOYSA-N
XLogP2.08
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 104708770) is 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(Oc2nc(N)nc(N(C)C)n2)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CQRCGEYEJGVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-18(2)11-15-10(14)16-12(17-11)20-9-5-4-7(19-3)6-8(9)13/h4-6H,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 340.18 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104708770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).