4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine

C11H12N4O2 — CID 80862927

IUPAC4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C11H12N4O2/c1-7-3-5-8(6-4-7)17-11-14-9(12)13-10(15-11)16-2/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyFYYMKXDUMQDSJU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.56
Rot. Bonds3

About 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine

4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80862927) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80862927
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C11H12N4O2/c1-7-3-5-8(6-4-7)17-11-14-9(12)13-10(15-11)16-2/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyFYYMKXDUMQDSJU-UHFFFAOYSA-N
XLogP1.56
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine (CID 80862927) is 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine is COc1nc(N)nc(Oc2ccc(C)cc2)n1.
What is the InChIKey of 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is FYYMKXDUMQDSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-5-8(6-4-7)17-11-14-9(12)13-10(15-11)16-2/h3-6H,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 232.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80862927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).