6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide

C13H13N3O4S — CID 121167413

IUPAC6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C13H13N3O4S/c1-20-12-7-11(14-8-15-12)13(17)16-9-3-5-10(6-4-9)21(2,18)19/h3-8H,1-2H3,(H,16,17)
InChIKeyCEAYTWLVKIRITM-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.14
Rot. Bonds4

About 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide

6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide (PubChem CID 121167413) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
PubChem CID121167413
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C13H13N3O4S/c1-20-12-7-11(14-8-15-12)13(17)16-9-3-5-10(6-4-9)21(2,18)19/h3-8H,1-2H3,(H,16,17)
InChIKeyCEAYTWLVKIRITM-UHFFFAOYSA-N
XLogP1.14
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
CID 121167400
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
6-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]pyrimidine-4-carboxamide
CID 121167435
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268
6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 59446976
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3917847
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide (CID 121167413) is 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1.
What is the InChIKey of 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CEAYTWLVKIRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-20-12-7-11(14-8-15-12)13(17)16-9-3-5-10(6-4-9)21(2,18)19/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).