5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide

C9H13N3O3S — CID 175449136

IUPAC5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(SC)nc(OC)c1OC
InChIInChI=1S/C9H13N3O3S/c1-10-7(13)5-6(14-2)8(15-3)12-9(11-5)16-4/h1-4H3,(H,10,13)
InChIKeyJKTYIPGFWJXZCO-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.58
Rot. Bonds4

About 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide

5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 175449136) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID175449136
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(SC)nc(OC)c1OC
InChIInChI=1S/C9H13N3O3S/c1-10-7(13)5-6(14-2)8(15-3)12-9(11-5)16-4/h1-4H3,(H,10,13)
InChIKeyJKTYIPGFWJXZCO-UHFFFAOYSA-N
XLogP0.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide (CID 175449136) is 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide is CNC(=O)c1nc(SC)nc(OC)c1OC.
What is the InChIKey of 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is JKTYIPGFWJXZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-10-7(13)5-6(14-2)8(15-3)12-9(11-5)16-4/h1-4H3,(H,10,13).
What are the key properties of 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide?
5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 175449136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).