methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate

C12H17N3O2S — CID 4548131

IUPACmethyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-10(15-5-3-4-6-15)14-12(13-9)18-8-11(16)17-2/h7H,3-6,8H2,1-2H3
InChIKeySJTNKTXIZQOLJK-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.65
Rot. Bonds4

About methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate

methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate (PubChem CID 4548131) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
PubChem CID4548131
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-10(15-5-3-4-6-15)14-12(13-9)18-8-11(16)17-2/h7H,3-6,8H2,1-2H3
InChIKeySJTNKTXIZQOLJK-UHFFFAOYSA-N
XLogP1.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
CID 865548
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
ethyl 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 142704975
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
CID 4580656
methyl 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylacetate
CID 107551396
ethyl 2-[[1-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20895443
N-[(2R)-1-hydroxypropan-2-yl]-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide
CID 40642677
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate
CID 30324784
[5-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 42825099
N-[3-(dimethylamino)propyl]-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide
CID 5070656

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate (CID 4548131) is methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate is COC(=O)CSc1nc(C)cc(N2CCCC2)n1.
What is the InChIKey of methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is SJTNKTXIZQOLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-10(15-5-3-4-6-15)14-12(13-9)18-8-11(16)17-2/h7H,3-6,8H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate?
methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 267.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 4548131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).