4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C20H30N6O2 — CID 117085360

IUPAC4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCc2ccc(OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H30N6O2/c1-4-25(5-2)19-22-18(23-20(24-19)26-12-14-28-15-13-26)21-11-10-16-6-8-17(27-3)9-7-16/h6-9H,4-5,10-15H2,1-3H3,(H,21,22,23,24)
InChIKeyJRNDMUGJBFBZRV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.22
Rot. Bonds9

About 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 117085360) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID117085360
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCc2ccc(OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H30N6O2/c1-4-25(5-2)19-22-18(23-20(24-19)26-12-14-28-15-13-26)21-11-10-16-6-8-17(27-3)9-7-16/h6-9H,4-5,10-15H2,1-3H3,(H,21,22,23,24)
InChIKeyJRNDMUGJBFBZRV-UHFFFAOYSA-N
XLogP2.22
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine 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-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 117085360) is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCCc2ccc(OC)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JRNDMUGJBFBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-4-25(5-2)19-22-18(23-20(24-19)26-12-14-28-15-13-26)21-11-10-16-6-8-17(27-3)9-7-16/h6-9H,4-5,10-15H2,1-3H3,(H,21,22,23,24).
What are the key properties of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 386.50 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117085360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).