methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate

C10H16N4O3S — CID 70473563

IUPACmethyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1nc(OC)nc(SC)n1
InChIInChI=1S/C10H16N4O3S/c1-10(2,6(15)16-3)14-7-11-8(17-4)13-9(12-7)18-5/h1-5H3,(H,11,12,13,14)
InChIKeyCRPROMIJCBEZRC-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.97
Rot. Bonds5

About methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate

methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate (PubChem CID 70473563) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate
PubChem CID70473563
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Namemethyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1nc(OC)nc(SC)n1
InChIInChI=1S/C10H16N4O3S/c1-10(2,6(15)16-3)14-7-11-8(17-4)13-9(12-7)18-5/h1-5H3,(H,11,12,13,14)
InChIKeyCRPROMIJCBEZRC-UHFFFAOYSA-N
XLogP0.97
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
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-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate with MolForge

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Related Compounds

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
CID 62858479
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350
methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
CID 116975801
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 114143236
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 115354713
methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]benzoate
CID 19989358
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
CID 62857641
bis(2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine);bis((2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate)
CID 173357760
N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028208
2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80840573
methyl 2-methyl-2-(2-methylhydrazinyl)propanoate
CID 166887564
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate (CID 70473563) is methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate is COC(=O)C(C)(C)Nc1nc(OC)nc(SC)n1.
What is the InChIKey of methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate?
The InChIKey is CRPROMIJCBEZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-10(2,6(15)16-3)14-7-11-8(17-4)13-9(12-7)18-5/h1-5H3,(H,11,12,13,14).
What are the key properties of methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate?
methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate has a molecular weight of 272.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 70473563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).