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

C10H16N4O3S — CID 80886259

IUPACmethyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate
SMILESCCCOc1nc(NC)nc(SCC(=O)OC)n1
InChIInChI=1S/C10H16N4O3S/c1-4-5-17-9-12-8(11-2)13-10(14-9)18-6-7(15)16-3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyQUSRJIGWKKZDIG-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.97
Rot. Bonds7

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

methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate (PubChem CID 80886259) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate
PubChem CID80886259
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Namemethyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate
SMILESCCCOc1nc(NC)nc(SCC(=O)OC)n1
InChIInChI=1S/C10H16N4O3S/c1-4-5-17-9-12-8(11-2)13-10(14-9)18-6-7(15)16-3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyQUSRJIGWKKZDIG-UHFFFAOYSA-N
XLogP0.97
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate with MolForge

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Related Compounds

methyl 3-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885613
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890906
methyl 2-[[1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20894983
methyl 2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886619
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
methyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80885429
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate (CID 80886259) is methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate is CCCOc1nc(NC)nc(SCC(=O)OC)n1.
What is the InChIKey of methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate?
The InChIKey is QUSRJIGWKKZDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-4-5-17-9-12-8(11-2)13-10(14-9)18-6-7(15)16-3/h4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate?
methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate is sourced from PubChem (CID 80886259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).