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

C21H24N6O — CID 645138

IUPAC2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H24N6O/c1-2-22-19-23-20(26-13-15-28-16-14-26)25-21(24-19)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,22,23,24,25)
InChIKeyVWVMRMAAZOCHJJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.61
Rot. Bonds6

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

2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 645138) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID645138
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H24N6O/c1-2-22-19-23-20(26-13-15-28-16-14-26)25-21(24-19)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,22,23,24,25)
InChIKeyVWVMRMAAZOCHJJ-UHFFFAOYSA-N
XLogP3.61
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 645138) is 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VWVMRMAAZOCHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-22-19-23-20(26-13-15-28-16-14-26)25-21(24-19)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,22,23,24,25).
What are the key properties of 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 376.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 645138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).