methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate

C11H17N5O3S — CID 654176

IUPACmethyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
SMILESCNc1nc(SCC(=O)OC)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O3S/c1-12-9-13-10(16-3-5-19-6-4-16)15-11(14-9)20-7-8(17)18-2/h3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyWACXSUAFLBNRGA-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.01
Rot. Bonds5

About methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate

methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate (PubChem CID 654176) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
PubChem CID654176
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Namemethyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
SMILESCNc1nc(SCC(=O)OC)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O3S/c1-12-9-13-10(16-3-5-19-6-4-16)15-11(14-9)20-7-8(17)18-2/h3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyWACXSUAFLBNRGA-UHFFFAOYSA-N
XLogP0.01
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate (CID 654176) is methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate is CNc1nc(SCC(=O)OC)nc(N2CCOCC2)n1.
What is the InChIKey of methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
The InChIKey is WACXSUAFLBNRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-12-9-13-10(16-3-5-19-6-4-16)15-11(14-9)20-7-8(17)18-2/h3-7H2,1-2H3,(H,12,13,14,15).
What are the key properties of methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate has a molecular weight of 299.36 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate is sourced from PubChem (CID 654176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).