methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate

C9H12N2O2S2 — CID 976346

IUPACmethyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(C)nc(SC)n1
InChIInChI=1S/C9H12N2O2S2/c1-6-4-7(11-9(10-6)14-3)15-5-8(12)13-2/h4H,5H2,1-3H3
InChIKeyGOWRSUBYUGRGRL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.77
Rot. Bonds4

About methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate

methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate (PubChem CID 976346) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
PubChem CID976346
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Namemethyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(C)nc(SC)n1
InChIInChI=1S/C9H12N2O2S2/c1-6-4-7(11-9(10-6)14-3)15-5-8(12)13-2/h4H,5H2,1-3H3
InChIKeyGOWRSUBYUGRGRL-UHFFFAOYSA-N
XLogP1.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid
CID 41567
Methyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
CID 809277
N-[4-methyl-6-(methylthio)pyrimidin-2-yl]acetamide
CID 742810
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid ethyl ester
CID 2179971
Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate
CID 723916
N-methyl-N-(6-methyl-4-methylthiopyrimidin-2-yl)acetamide
CID 658170
Pyrimidin-2-amine, 15
CID 44220304
4-(Butylsulfanyl)-6-methylpyrimidin-2-amine
CID 237930
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid ethyl ester
CID 655986
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652992
(6-Methyl-2-propionylamino-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652134
Methyl [(2-amino-5-bromo-6-methylpyrimidin-4-yl)sulfanyl]acetate
CID 658012

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate (CID 976346) is methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1cc(C)nc(SC)n1.
What is the InChIKey of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is GOWRSUBYUGRGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-6-4-7(11-9(10-6)14-3)15-5-8(12)13-2/h4H,5H2,1-3H3.
What are the key properties of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 244.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 976346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).