ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate

C11H16N2O2S — CID 165445033

IUPACethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(CCSC)ncc1C
InChIInChI=1S/C11H16N2O2S/c1-4-15-11(14)10-8(2)7-12-9(13-10)5-6-16-3/h7H,4-6H2,1-3H3
InChIKeyTZRYPMGXRQTEDS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.87
Rot. Bonds5

About ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate

ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate (PubChem CID 165445033) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate
PubChem CID165445033
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(CCSC)ncc1C
InChIInChI=1S/C11H16N2O2S/c1-4-15-11(14)10-8(2)7-12-9(13-10)5-6-16-3/h7H,4-6H2,1-3H3
InChIKeyTZRYPMGXRQTEDS-UHFFFAOYSA-N
XLogP1.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate
CID 165444834
ethyl 5-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 167884840
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473
ethyl 2-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-4-carboxylate
CID 114244924
ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 136932103
ethyl 5-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619358
ethyl 5-methyl-2-(thian-2-yl)pyrimidine-4-carboxylate
CID 114244925
ethyl 5-(2,3-dimethylphenyl)-2-(hydroxymethyl)pyrimidine-4-carboxylate
CID 20738505
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-(chloromethyl)-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973418
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate (CID 165445033) is ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate is CCOC(=O)c1nc(CCSC)ncc1C.
What is the InChIKey of ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate?
The InChIKey is TZRYPMGXRQTEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-4-15-11(14)10-8(2)7-12-9(13-10)5-6-16-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate?
ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-methylsulfanylethyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 165445033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).