N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C21H30N6O4 — CID 1296537

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C21H30N6O4/c1-28-17-4-3-16(15-18(17)29-2)5-6-22-19-23-20(26-7-11-30-12-8-26)25-21(24-19)27-9-13-31-14-10-27/h3-4,15H,5-14H2,1-2H3,(H,22,23,24,25)
InChIKeyXYTHSMGWAGJFME-UHFFFAOYSA-N
MW430.51 g/mol
LogP1.22
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1296537) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1296537
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C21H30N6O4/c1-28-17-4-3-16(15-18(17)29-2)5-6-22-19-23-20(26-7-11-30-12-8-26)25-21(24-19)27-9-13-31-14-10-27/h3-4,15H,5-14H2,1-2H3,(H,22,23,24,25)
InChIKeyXYTHSMGWAGJFME-UHFFFAOYSA-N
XLogP1.22
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-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 N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1296537) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is COc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is XYTHSMGWAGJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O4/c1-28-17-4-3-16(15-18(17)29-2)5-6-22-19-23-20(26-7-11-30-12-8-26)25-21(24-19)27-9-13-31-14-10-27/h3-4,15H,5-14H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 430.51 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1296537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).