6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

C19H20N6O — CID 780750

IUPAC6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H20N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h1-10H,11-14H2,(H2,20,21,22,23,24)
InChIKeyGSXOUQFSYTZEJF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.20
Rot. Bonds5

About 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 780750) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID780750
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H20N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h1-10H,11-14H2,(H2,20,21,22,23,24)
InChIKeyGSXOUQFSYTZEJF-UHFFFAOYSA-N
XLogP3.20
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 780750) is 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GSXOUQFSYTZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h1-10H,11-14H2,(H2,20,21,22,23,24).
What are the key properties of 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 348.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 780750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).