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

C12H14N4O2 — CID 80859995

IUPAC4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc(OC)n2)c1
InChIInChI=1S/C12H14N4O2/c1-3-8-5-4-6-9(7-8)18-12-15-10(13)14-11(16-12)17-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyIFRRGDARDBNCKH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.82
Rot. Bonds4

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

4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80859995) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80859995
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc(OC)n2)c1
InChIInChI=1S/C12H14N4O2/c1-3-8-5-4-6-9(7-8)18-12-15-10(13)14-11(16-12)17-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyIFRRGDARDBNCKH-UHFFFAOYSA-N
XLogP1.82
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80846676
4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80863574
[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol
CID 80870447
2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
CID 121014438
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507
4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80870082

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine (CID 80859995) is 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine is CCc1cccc(Oc2nc(N)nc(OC)n2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is IFRRGDARDBNCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-8-5-4-6-9(7-8)18-12-15-10(13)14-11(16-12)17-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine?
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).