methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate

C8H11N3O2S — CID 37192190

IUPACmethyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(N)n1
InChIInChI=1S/C8H11N3O2S/c1-5-3-6(9)11-8(10-5)14-4-7(12)13-2/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyYXLLVQMFUJTRFN-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.63
Rot. Bonds3

About methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate

methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate (PubChem CID 37192190) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
PubChem CID37192190
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Namemethyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(N)n1
InChIInChI=1S/C8H11N3O2S/c1-5-3-6(9)11-8(10-5)14-4-7(12)13-2/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyYXLLVQMFUJTRFN-UHFFFAOYSA-N
XLogP0.63
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoate
CID 115279578
methyl 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylacetate
CID 107551396
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 4548131
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
methyl 2-(6-amino-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80886623
ethyl 4-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]butanoate
CID 78909876
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 40669544
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
CID 115331106

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate (CID 37192190) is methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate is COC(=O)CSc1nc(C)cc(N)n1.
What is the InChIKey of methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is YXLLVQMFUJTRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-3-6(9)11-8(10-5)14-4-7(12)13-2/h3H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate?
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 213.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 37192190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).