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

C10H14N2O2S — CID 102972473

IUPACethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CSC)nc1C
InChIInChI=1S/C10H14N2O2S/c1-4-14-10(13)8-5-11-9(6-15-3)12-7(8)2/h5H,4,6H2,1-3H3
InChIKeyUCFASJKOONQXRD-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.82
Rot. Bonds4

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

ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate (PubChem CID 102972473) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
PubChem CID102972473
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CSC)nc1C
InChIInChI=1S/C10H14N2O2S/c1-4-14-10(13)8-5-11-9(6-15-3)12-7(8)2/h5H,4,6H2,1-3H3
InChIKeyUCFASJKOONQXRD-UHFFFAOYSA-N
XLogP1.82
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(chloromethyl)-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973418
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 2-(cyclohexylsulfanylmethyl)-4-methylpyrimidine-5-carboxylate
CID 102972476
ethyl 2-[(2-fluorophenyl)sulfanylmethyl]-4-methylpyrimidine-5-carboxylate
CID 102972384
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111
ethyl 4-cyclopropyl-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973087
ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 102972377
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate (CID 102972473) is ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CSC)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate?
The InChIKey is UCFASJKOONQXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4-14-10(13)8-5-11-9(6-15-3)12-7(8)2/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102972473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).