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

C20H21N5O2 — CID 162397412

IUPAC4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc(OCc3ccccc3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H21N5O2/c21-19-22-18(23-20(24-19)25-9-11-26-12-10-25)16-7-4-8-17(13-16)27-14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H2,21,22,23,24)
InChIKeyFXIYJGOPFBQULO-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.54
Rot. Bonds5

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

4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 162397412) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID162397412
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cccc(OCc3ccccc3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H21N5O2/c21-19-22-18(23-20(24-19)25-9-11-26-12-10-25)16-7-4-8-17(13-16)27-14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H2,21,22,23,24)
InChIKeyFXIYJGOPFBQULO-UHFFFAOYSA-N
XLogP2.54
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine (CID 162397412) is 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2cccc(OCc3ccccc3)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is FXIYJGOPFBQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19-22-18(23-20(24-19)25-9-11-26-12-10-25)16-7-4-8-17(13-16)27-14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H2,21,22,23,24).
What are the key properties of 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 363.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162397412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).