methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate

C11H17N3O2S — CID 70330571

IUPACmethyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate
SMILESCOC(=O)CSc1nc(C)cc(N(C)C)c1N
InChIInChI=1S/C11H17N3O2S/c1-7-5-8(14(2)3)10(12)11(13-7)17-6-9(15)16-4/h5H,6,12H2,1-4H3
InChIKeyCAQHPZPWNWGGQM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.30
Rot. Bonds4

About methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate

methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate (PubChem CID 70330571) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate
PubChem CID70330571
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate
SMILESCOC(=O)CSc1nc(C)cc(N(C)C)c1N
InChIInChI=1S/C11H17N3O2S/c1-7-5-8(14(2)3)10(12)11(13-7)17-6-9(15)16-4/h5H,6,12H2,1-4H3
InChIKeyCAQHPZPWNWGGQM-UHFFFAOYSA-N
XLogP1.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
methyl 2-(6-amino-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80886623
methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate
CID 163170012
ethyl 2-amino-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanylpyridine-3-carboxylate
CID 3396473
methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 4548131
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
methyl 2-[(3-cyano-6-methyl-4-pyridin-4-yl-2-pyridinyl)sulfanyl]acetate
CID 23875375
methyl 2-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]acetate
CID 81054604
methyl 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylacetate
CID 107551396
methyl 2-(3,7-dimethylquinolin-2-yl)sulfanylacetate
CID 864543
methyl 2-(6-amino-3-chloro-5-formylpyrazin-2-yl)sulfanylacetate
CID 13389078

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate (CID 70330571) is methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate is COC(=O)CSc1nc(C)cc(N(C)C)c1N.
What is the InChIKey of methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate?
The InChIKey is CAQHPZPWNWGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-5-8(14(2)3)10(12)11(13-7)17-6-9(15)16-4/h5H,6,12H2,1-4H3.
What are the key properties of methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate?
methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate has a molecular weight of 255.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate is sourced from PubChem (CID 70330571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).