4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine

C25H30N6O — CID 3927094

IUPAC4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H30N6O/c1-2-10-16-29(15-9-1)23-26-24(30-17-19-32-20-18-30)28-25(27-23)31(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2
InChIKeyVWFMXOAOEWZQCH-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.56
Rot. Bonds5

About 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine (PubChem CID 3927094) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
PubChem CID3927094
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H30N6O/c1-2-10-16-29(15-9-1)23-26-24(30-17-19-32-20-18-30)28-25(27-23)31(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2
InChIKeyVWFMXOAOEWZQCH-UHFFFAOYSA-N
XLogP4.56
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine (CID 3927094) is 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine is c1ccc(N(c2ccccc2)c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is VWFMXOAOEWZQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-2-10-16-29(15-9-1)23-26-24(30-17-19-32-20-18-30)28-25(27-23)31(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2.
What are the key properties of 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 430.56 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3927094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).