N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H22N6OS — CID 80820653

IUPACN-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCOCC2)nc(N2CCSCC2C)n1
InChIInChI=1S/C13H22N6OS/c1-10-9-21-8-5-19(10)13-16-11(14-2)15-12(17-13)18-3-6-20-7-4-18/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyRENBMRKVRGUIRI-UHFFFAOYSA-N
MW310.43 g/mol
LogP0.69
Rot. Bonds3

About N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80820653) has the molecular formula C13H22N6OS and a molecular weight of 310.43 g/mol. Its IUPAC name is N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80820653
Molecular FormulaC13H22N6OS
Molecular Weight310.43 g/mol
Exact Mass310.16
IUPAC NameN-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCOCC2)nc(N2CCSCC2C)n1
InChIInChI=1S/C13H22N6OS/c1-10-9-21-8-5-19(10)13-16-11(14-2)15-12(17-13)18-3-6-20-7-4-18/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyRENBMRKVRGUIRI-UHFFFAOYSA-N
XLogP0.69
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
[1-[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80777418
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 102838573
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773229
4-cyclobutyloxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872862
4-N-methyl-6-morpholin-4-yl-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80853559
N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
N-methyl-4-(2-methylmorpholin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80763829
2-N,4-N-dimethyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773892
4-N-cyclopropyl-2-N-methyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771865

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80820653) is N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CNc1nc(N2CCOCC2)nc(N2CCSCC2C)n1.
What is the InChIKey of N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RENBMRKVRGUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6OS/c1-10-9-21-8-5-19(10)13-16-11(14-2)15-12(17-13)18-3-6-20-7-4-18/h10H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 310.43 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80820653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).