4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C11H20N6OS — CID 112667724

IUPAC4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCSCCN(C)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H20N6OS/c1-16(5-8-19-2)10-13-9(12)14-11(15-10)17-3-6-18-7-4-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyJRGCDTLNUGPYIE-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.09
Rot. Bonds5

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

4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 112667724) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID112667724
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCSCCN(C)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H20N6OS/c1-16(5-8-19-2)10-13-9(12)14-11(15-10)17-3-6-18-7-4-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyJRGCDTLNUGPYIE-UHFFFAOYSA-N
XLogP0.09
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-N-methyl-4-N-(2-methylsulfanylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 112667710
4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80753907
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
4-N-methyl-6-morpholin-4-yl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80793641
4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667625
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
4-N-methyl-6-pyrrolidin-1-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847737
2-N,4-N-dimethyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773892
4-N-cyclopentyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80775975
N-butyl-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80916546
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 112667724) is 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CSCCN(C)c1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JRGCDTLNUGPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-16(5-8-19-2)10-13-9(12)14-11(15-10)17-3-6-18-7-4-17/h3-8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112667724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).