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

C12H14N4O4S — CID 80874010

IUPAC4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O4S/c1-3-19-11-14-10(13)15-12(16-11)20-8-4-6-9(7-5-8)21(2,17)18/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyYWOJBQVRQXKBQX-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.05
Rot. Bonds5

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

4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80874010) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80874010
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O4S/c1-3-19-11-14-10(13)15-12(16-11)20-8-4-6-9(7-5-8)21(2,17)18/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyYWOJBQVRQXKBQX-UHFFFAOYSA-N
XLogP1.05
TPSA117.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863450
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-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874158
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine (CID 80874010) is 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is YWOJBQVRQXKBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-3-19-11-14-10(13)15-12(16-11)20-8-4-6-9(7-5-8)21(2,17)18/h4-7H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine?
4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 310.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80874010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).