6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C21H25N7O — CID 1095342

IUPAC6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H25N7O/c1-3-7-17(8-4-1)23-20-25-19(22-11-12-28-13-15-29-16-14-28)26-21(27-20)24-18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,22,23,24,25,26,27)
InChIKeyZHTRWWCLHQXSRF-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.10
Rot. Bonds8

About 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 1095342) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID1095342
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H25N7O/c1-3-7-17(8-4-1)23-20-25-19(22-11-12-28-13-15-29-16-14-28)26-21(27-20)24-18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,22,23,24,25,26,27)
InChIKeyZHTRWWCLHQXSRF-UHFFFAOYSA-N
XLogP3.10
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 1095342) is 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is c1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZHTRWWCLHQXSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-3-7-17(8-4-1)23-20-25-19(22-11-12-28-13-15-29-16-14-28)26-21(27-20)24-18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,22,23,24,25,26,27).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 391.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 1095342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).