N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride

C17H31ClN6O2S — CID 110178400

IUPACN-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride
SMILESCC(C)(C)Nc1nc(SCC[NH+]2CCOCC2)nc(N2CCOCC2)n1.[Cl-]
InChIInChI=1S/C17H30N6O2S.ClH/c1-17(2,3)21-14-18-15(23-6-11-25-12-7-23)20-16(19-14)26-13-8-22-4-9-24-10-5-22;/h4-13H2,1-3H3,(H,18,19,20,21);1H
InChIKeyCWLTWIYBPOAPNF-UHFFFAOYSA-N
MW419.00 g/mol
LogP-3.07
Rot. Bonds6

About N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride

N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride (PubChem CID 110178400) has the molecular formula C17H31ClN6O2S and a molecular weight of 419.00 g/mol. Its IUPAC name is N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride.

Molecular Properties

Compound NameN-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride
PubChem CID110178400
Molecular FormulaC17H31ClN6O2S
Molecular Weight419.00 g/mol
Exact Mass418.19
IUPAC NameN-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride
SMILESCC(C)(C)Nc1nc(SCC[NH+]2CCOCC2)nc(N2CCOCC2)n1.[Cl-]
InChIInChI=1S/C17H30N6O2S.ClH/c1-17(2,3)21-14-18-15(23-6-11-25-12-7-23)20-16(19-14)26-13-8-22-4-9-24-10-5-22;/h4-13H2,1-3H3,(H,18,19,20,21);1H
InChIKeyCWLTWIYBPOAPNF-UHFFFAOYSA-N
XLogP-3.07
TPSA76.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.00
LogP ≤ 5-3.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80887169
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80881867
4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
CID 136821405
4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62867376
N-tert-butyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 974630
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
(4-morpholin-4-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80920561
N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 1002158
4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872582
N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586
4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62866324

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride?
The IUPAC name of N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride (CID 110178400) is N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride.
What is the SMILES notation for N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride?
The canonical SMILES for N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride is CC(C)(C)Nc1nc(SCC[NH+]2CCOCC2)nc(N2CCOCC2)n1.[Cl-].
What is the InChIKey of N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride?
The InChIKey is CWLTWIYBPOAPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2S.ClH/c1-17(2,3)21-14-18-15(23-6-11-25-12-7-23)20-16(19-14)26-13-8-22-4-9-24-10-5-22;/h4-13H2,1-3H3,(H,18,19,20,21);1H.
What are the key properties of N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride?
N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride has a molecular weight of 419.00 g/mol, XLogP of -3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride is sourced from PubChem (CID 110178400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).