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

C12H14N4O2 — CID 80863450

IUPAC4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C12H14N4O2/c1-3-17-11-14-10(13)15-12(16-11)18-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyYREWRCJREVMAFK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.95
Rot. Bonds4

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

4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80863450) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80863450
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C12H14N4O2/c1-3-17-11-14-10(13)15-12(16-11)18-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyYREWRCJREVMAFK-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
CID 80879656
4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80872302
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine
CID 80874010
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 169281032
4-ethoxy-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 103176391

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine (CID 80863450) is 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2ccc(C)cc2)n1.
What is the InChIKey of 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is YREWRCJREVMAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-17-11-14-10(13)15-12(16-11)18-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine?
4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80863450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).