4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C16H21N5O4 — CID 162397415

IUPAC4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(-c2nc(N)nc(N3CCOCC3)n2)cc(OC)c1OC
InChIInChI=1S/C16H21N5O4/c1-22-11-8-10(9-12(23-2)13(11)24-3)14-18-15(17)20-16(19-14)21-4-6-25-7-5-21/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyYQTYUBMTIWAPQY-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.98
Rot. Bonds5

About 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 162397415) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID162397415
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(-c2nc(N)nc(N3CCOCC3)n2)cc(OC)c1OC
InChIInChI=1S/C16H21N5O4/c1-22-11-8-10(9-12(23-2)13(11)24-3)14-18-15(17)20-16(19-14)21-4-6-25-7-5-21/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyYQTYUBMTIWAPQY-UHFFFAOYSA-N
XLogP0.98
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 162397415) is 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(-c2nc(N)nc(N3CCOCC3)n2)cc(OC)c1OC.
What is the InChIKey of 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is YQTYUBMTIWAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-22-11-8-10(9-12(23-2)13(11)24-3)14-18-15(17)20-16(19-14)21-4-6-25-7-5-21/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 347.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162397415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).