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

C12H14N4O2 — CID 80863574

IUPAC4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H14N4O2/c1-7-4-5-9(6-8(7)2)18-12-15-10(13)14-11(16-12)17-3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeyWKPVGEMNZOKWDC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.87
Rot. Bonds3

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

4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80863574) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80863574
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H14N4O2/c1-7-4-5-9(6-8(7)2)18-12-15-10(13)14-11(16-12)17-3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeyWKPVGEMNZOKWDC-UHFFFAOYSA-N
XLogP1.87
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

[4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80916071
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80869270
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 80881678
[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol
CID 80870447
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
4-methoxy-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80869201
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
CID 121014438

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine (CID 80863574) is 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(Oc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is WKPVGEMNZOKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-4-5-9(6-8(7)2)18-12-15-10(13)14-11(16-12)17-3/h4-6H,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80863574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).