methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate

C8H10N2O2S — CID 4766663

IUPACmethyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(SC)n1
InChIInChI=1S/C8H10N2O2S/c1-5-4-6(7(11)12-2)10-8(9-5)13-3/h4H,1-3H3
InChIKeyHMJWTOFSFHDFDA-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.29
Rot. Bonds2

About methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate

methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate (PubChem CID 4766663) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
PubChem CID4766663
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(SC)n1
InChIInChI=1S/C8H10N2O2S/c1-5-4-6(7(11)12-2)10-8(9-5)13-3/h4H,1-3H3
InChIKeyHMJWTOFSFHDFDA-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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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate (CID 4766663) is methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(SC)n1.
What is the InChIKey of methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
The InChIKey is HMJWTOFSFHDFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5-4-6(7(11)12-2)10-8(9-5)13-3/h4H,1-3H3.
What are the key properties of methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate?
methyl 6-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 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate is sourced from PubChem (CID 4766663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).