5-methyl-2-methylsulfonylpyrimidine-4-carboxamide

C7H9N3O3S — CID 147689446

IUPAC5-methyl-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCc1cnc(S(C)(=O)=O)nc1C(N)=O
InChIInChI=1S/C7H9N3O3S/c1-4-3-9-7(14(2,12)13)10-5(4)6(8)11/h3H,1-2H3,(H2,8,11)
InChIKeyGQRDLYSPDPFRJA-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.71
Rot. Bonds2

About 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide

5-methyl-2-methylsulfonylpyrimidine-4-carboxamide (PubChem CID 147689446) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-methylsulfonylpyrimidine-4-carboxamide
PubChem CID147689446
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name5-methyl-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCc1cnc(S(C)(=O)=O)nc1C(N)=O
InChIInChI=1S/C7H9N3O3S/c1-4-3-9-7(14(2,12)13)10-5(4)6(8)11/h3H,1-2H3,(H2,8,11)
InChIKeyGQRDLYSPDPFRJA-UHFFFAOYSA-N
XLogP-0.71
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide (CID 147689446) is 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide is Cc1cnc(S(C)(=O)=O)nc1C(N)=O.
What is the InChIKey of 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide?
The InChIKey is GQRDLYSPDPFRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-4-3-9-7(14(2,12)13)10-5(4)6(8)11/h3H,1-2H3,(H2,8,11).
What are the key properties of 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide?
5-methyl-2-methylsulfonylpyrimidine-4-carboxamide has a molecular weight of 215.23 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 147689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).