4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide

C14H15N3O3S — CID 146080206

IUPAC4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H15N3O3S/c1-9-8-10(2)16-13(15-9)14(18)17-11-4-6-12(7-5-11)21(3,19)20/h4-8H,1-3H3,(H,17,18)
InChIKeyDROZQQOLXKTEQH-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.75
Rot. Bonds3

About 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide

4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide (PubChem CID 146080206) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide
PubChem CID146080206
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H15N3O3S/c1-9-8-10(2)16-13(15-9)14(18)17-11-4-6-12(7-5-11)21(3,19)20/h4-8H,1-3H3,(H,17,18)
InChIKeyDROZQQOLXKTEQH-UHFFFAOYSA-N
XLogP1.75
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 67377491
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791318
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide (CID 146080206) is 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide is Cc1cc(C)nc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide?
The InChIKey is DROZQQOLXKTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-8-10(2)16-13(15-9)14(18)17-11-4-6-12(7-5-11)21(3,19)20/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide?
4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 146080206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).