6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide

C14H15N3O5S — CID 58872697

IUPAC6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCOc1cccc(OC)c1-c1cc(C(N)=O)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H15N3O5S/c1-21-10-5-4-6-11(22-2)12(10)8-7-9(13(15)18)17-14(16-8)23(3,19)20/h4-7H,1-3H3,(H2,15,18)
InChIKeyHPIRMKKZPYJAGF-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.66
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide

6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide (PubChem CID 58872697) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
PubChem CID58872697
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCOc1cccc(OC)c1-c1cc(C(N)=O)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H15N3O5S/c1-21-10-5-4-6-11(22-2)12(10)8-7-9(13(15)18)17-14(16-8)23(3,19)20/h4-7H,1-3H3,(H2,15,18)
InChIKeyHPIRMKKZPYJAGF-UHFFFAOYSA-N
XLogP0.66
TPSA121.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide (CID 58872697) is 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide is COc1cccc(OC)c1-c1cc(C(N)=O)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
The InChIKey is HPIRMKKZPYJAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-21-10-5-4-6-11(22-2)12(10)8-7-9(13(15)18)17-14(16-8)23(3,19)20/h4-7H,1-3H3,(H2,15,18).
What are the key properties of 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide?
6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 58872697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).