methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate

C8H10N2O2S — CID 22386205

IUPACmethyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(SC)ncc1C
InChIInChI=1S/C8H10N2O2S/c1-5-4-9-8(13-3)10-6(5)7(11)12-2/h4H,1-3H3
InChIKeyBFCWTDQEFBHNTL-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.29
Rot. Bonds2

About methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate

methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate (PubChem CID 22386205) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
PubChem CID22386205
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(SC)ncc1C
InChIInChI=1S/C8H10N2O2S/c1-5-4-9-8(13-3)10-6(5)7(11)12-2/h4H,1-3H3
InChIKeyBFCWTDQEFBHNTL-UHFFFAOYSA-N
XLogP1.29
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
CID 145450244
methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
CID 130206256
methyl 5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]-2-methylsulfanylpyrimidine-4-carboxylate
CID 135180886
methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate
CID 11564995
5-methyl-2,4-bis(methylsulfanyl)pyrimidine
CID 11401210
5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24673165
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
methyl 4-(5-formyl-2-methylsulfanylpyrimidin-4-yl)benzoate
CID 154930801
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-methylbutanoate
CID 43423370
dimethyl 5-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 9151261

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate (CID 22386205) is methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate is COC(=O)c1nc(SC)ncc1C.
What is the InChIKey of methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
The InChIKey is BFCWTDQEFBHNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5-4-9-8(13-3)10-6(5)7(11)12-2/h4H,1-3H3.
What are the key properties of methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate has a molecular weight of 198.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate is sourced from PubChem (CID 22386205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).