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

C16H31N7O — CID 117092417

IUPAC2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCN2CCOCC2)nc(N(CC)CC)n1
InChIInChI=1S/C16H31N7O/c1-4-7-17-14-19-15(21-16(20-14)23(5-2)6-3)18-8-9-22-10-12-24-13-11-22/h4-13H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyKDLGLIGBTMABRW-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.28
Rot. Bonds10

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

2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 117092417) has the molecular formula C16H31N7O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID117092417
Molecular FormulaC16H31N7O
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCN2CCOCC2)nc(N(CC)CC)n1
InChIInChI=1S/C16H31N7O/c1-4-7-17-14-19-15(21-16(20-14)23(5-2)6-3)18-8-9-22-10-12-24-13-11-22/h4-13H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyKDLGLIGBTMABRW-UHFFFAOYSA-N
XLogP1.28
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-tert-butyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3762337
4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
4-methoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 976569
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
[4-Chloro-6-(octylamino)(1,3,5-triazin-2-yl)](2-morpholin-4-ylethyl)amine
CID 3117169
s-Triazine, 2,4-bis(methylamino)-6-morpholino-
CID 204412
6-Ethoxy-N-isopropyl-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 767097
6-Chloro-N4-[2-(morpholin-4-YL)ethyl]-N2,N2-dipropyl-1,3,5-triazine-2,4-diamine
CID 783135
s-Triazine, 2,4-bis(methylamino)-6-morpholino-, hydrochloride
CID 204413
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
{[4-(Ethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 1826754

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 117092417) is 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NCCN2CCOCC2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KDLGLIGBTMABRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O/c1-4-7-17-14-19-15(21-16(20-14)23(5-2)6-3)18-8-9-22-10-12-24-13-11-22/h4-13H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 337.47 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117092417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).