methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate

C8H10N2O4S — CID 16654693

IUPACmethyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H10N2O4S/c1-5-4-6(7(11)14-2)10-8(9-5)15(3,12)13/h4H,1-3H3
InChIKeyRUEQAJPRCGNSNA-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.02
Rot. Bonds2

About methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate

methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate (PubChem CID 16654693) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate
PubChem CID16654693
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Namemethyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H10N2O4S/c1-5-4-6(7(11)14-2)10-8(9-5)15(3,12)13/h4H,1-3H3
InChIKeyRUEQAJPRCGNSNA-UHFFFAOYSA-N
XLogP-0.02
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate (CID 16654693) is methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(S(C)(=O)=O)n1.
What is the InChIKey of methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate?
The InChIKey is RUEQAJPRCGNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-5-4-6(7(11)14-2)10-8(9-5)15(3,12)13/h4H,1-3H3.
What are the key properties of methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate?
methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate has a molecular weight of 230.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate is sourced from PubChem (CID 16654693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).