2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C20H29N7O2 — CID 1043362

IUPAC2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(CNc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H29N7O2/c1-2-4-17(5-3-1)16-22-19-23-18(21-6-7-26-8-12-28-13-9-26)24-20(25-19)27-10-14-29-15-11-27/h1-5H,6-16H2,(H2,21,22,23,24,25)
InChIKeyGXLOQVUUZGPPMP-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.06
Rot. Bonds8

About 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1043362) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1043362
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(CNc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H29N7O2/c1-2-4-17(5-3-1)16-22-19-23-18(21-6-7-26-8-12-28-13-9-26)24-20(25-19)27-10-14-29-15-11-27/h1-5H,6-16H2,(H2,21,22,23,24,25)
InChIKeyGXLOQVUUZGPPMP-UHFFFAOYSA-N
XLogP1.06
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Benzyl-(4-hydrazino-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-amine
CID 3119592
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
N-Allyl-N'-benzyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 3121126
2,4-Bismorpholino-6-benzylamino-1,3,5-triazine
CID 1068729
N-Benzyl-6-chloro-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 685322
N-(4-methylphenyl)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1353607
N-(4-chlorobenzyl)-4,6-di-4-morpholinyl-1,3,5-triazin-2-amine
CID 1291127
N-benzyl-4-[4-(2-chloroethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 145987991
2-(4-Benzylpiperazin-1-yl)-4-(morpholin-4-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1114000
2-N,4-N-dibenzyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7589350
N2-(4-Iodo-2-methylphenyl)-6-(morpholin-4-YL)-N4-[2-(morpholin-4-YL)ethyl]-1,3,5-triazine-2,4-diamine
CID 5044150
Isoquinoline, 1,2,3,4-tetrahydro-2-((4-amino-6-morpholino-s-triazin-2-yl)methyl)-
CID 34836

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 1043362) is 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is c1ccc(CNc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GXLOQVUUZGPPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-2-4-17(5-3-1)16-22-19-23-18(21-6-7-26-8-12-28-13-9-26)24-20(25-19)27-10-14-29-15-11-27/h1-5H,6-16H2,(H2,21,22,23,24,25).
What are the key properties of 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 399.50 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1043362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).