6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C13H15N3O4S — CID 22521098

IUPAC6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-8-3-5-10(6-4-8)7-14-21(19,20)11-9(2)15-13(18)16-12(11)17/h3-6,14H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXEYZDWYAMIFJPQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.16
Rot. Bonds4

About 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 22521098) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID22521098
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-8-3-5-10(6-4-8)7-14-21(19,20)11-9(2)15-13(18)16-12(11)17/h3-6,14H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXEYZDWYAMIFJPQ-UHFFFAOYSA-N
XLogP0.16
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 866267
1,3-dimethyl-2,4-dioxo-N-phenethyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196408
N-benzyl-1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196425
1,3,6-trimethyl-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196430
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 3236899
1,3,6-trimethyl-2,4-dioxo-N-phenethyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196489
6-amino-1,3-dimethyl-2,4-dioxo-N-(1-phenylethyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16801242
4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
CID 7197662
N-benzyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 7543058
N-(3-ethylphenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16017981
N-(3-fluoro-4-methylphenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 22521102
N-(2,6-dimethylphenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 3235698

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 22521098) is 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is XEYZDWYAMIFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-3-5-10(6-4-8)7-14-21(19,20)11-9(2)15-13(18)16-12(11)17/h3-6,14H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 22521098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).