methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate

C8H10N2O2S2 — CID 130206256

IUPACmethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(SC)nc1SC
InChIInChI=1S/C8H10N2O2S2/c1-12-7(11)5-4-9-8(14-3)10-6(5)13-2/h4H,1-3H3
InChIKeyGTXRYRHPLVNDMF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.71
Rot. Bonds3

About methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate

methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate (PubChem CID 130206256) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
PubChem CID130206256
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Namemethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(SC)nc1SC
InChIInChI=1S/C8H10N2O2S2/c1-12-7(11)5-4-9-8(14-3)10-6(5)13-2/h4H,1-3H3
InChIKeyGTXRYRHPLVNDMF-UHFFFAOYSA-N
XLogP1.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-chloro-4-methylsulfanylpyrimidine-5-carboxylate
CID 89398355
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
methyl 4-methylsulfanylpyrimidine-5-carboxylate
CID 130484620
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205
4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine
CID 172808365
methyl 4-[(4-chloro-2-methylsulfanylpyrimidine-5-carbonyl)amino]benzoate
CID 18858809
ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 137362767
5-methyl-2,4-bis(methylsulfanyl)pyrimidine
CID 11401210
methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate
CID 54413564
1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-2-methoxyethanone
CID 164933954
2-methylsulfanyl-4-phenylsulfanylpyrimidine-5-carboxylic acid
CID 100594215
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 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate (CID 130206256) is methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate is COC(=O)c1cnc(SC)nc1SC.
What is the InChIKey of methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate?
The InChIKey is GTXRYRHPLVNDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c1-12-7(11)5-4-9-8(14-3)10-6(5)13-2/h4H,1-3H3.
What are the key properties of methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate?
methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 130206256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).