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

C14H18N4O2 — CID 80869953

IUPAC4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Oc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4O2/c1-4-15-12-16-13(19-5-2)18-14(17-12)20-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeySAPRFHHERZLSHM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.80
Rot. Bonds6

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

4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80869953) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80869953
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Oc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4O2/c1-4-15-12-16-13(19-5-2)18-14(17-12)20-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeySAPRFHHERZLSHM-UHFFFAOYSA-N
XLogP2.80
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
4-(3-bromo-5-fluorophenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81314804
4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80870824
2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
CID 121014438
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80930359
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
N-ethyl-4-[(3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751375
2-(3-methylphenoxy)pyrimidine
CID 20603792

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine (CID 80869953) is 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(Oc2cccc(C)c2)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is SAPRFHHERZLSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-15-12-16-13(19-5-2)18-14(17-12)20-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80869953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).