4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C16H21N5O3 — CID 1158975

IUPAC4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O3/c1-3-24-16-19-14(17-12-4-6-13(22-2)7-5-12)18-15(20-16)21-8-10-23-11-9-21/h4-7H,3,8-11H2,1-2H3,(H,17,18,19,20)
InChIKeyWWAJKVCSXJUYSX-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.86
Rot. Bonds6

About 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1158975) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1158975
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O3/c1-3-24-16-19-14(17-12-4-6-13(22-2)7-5-12)18-15(20-16)21-8-10-23-11-9-21/h4-7H,3,8-11H2,1-2H3,(H,17,18,19,20)
InChIKeyWWAJKVCSXJUYSX-UHFFFAOYSA-N
XLogP1.86
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 1158975) is 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCOc1nc(Nc2ccc(OC)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is WWAJKVCSXJUYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-24-16-19-14(17-12-4-6-13(22-2)7-5-12)18-15(20-16)21-8-10-23-11-9-21/h4-7H,3,8-11H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1158975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).