3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

C13H16N4O3S — CID 107601171

IUPAC3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(C)c(N)c2)n1
InChIInChI=1S/C13H16N4O3S/c1-8-4-5-10(7-11(8)14)21(18,19)17-13-15-9(2)6-12(16-13)20-3/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyZRQWVJVOLWTNIJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.49
Rot. Bonds4

About 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 107601171) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID107601171
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(C)c(N)c2)n1
InChIInChI=1S/C13H16N4O3S/c1-8-4-5-10(7-11(8)14)21(18,19)17-13-15-9(2)6-12(16-13)20-3/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyZRQWVJVOLWTNIJ-UHFFFAOYSA-N
XLogP1.49
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-sulfonamide
CID 107603209
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601008
1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
CID 106089332

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 107601171) is 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccc(C)c(N)c2)n1.
What is the InChIKey of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is ZRQWVJVOLWTNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-4-5-10(7-11(8)14)21(18,19)17-13-15-9(2)6-12(16-13)20-3/h4-7H,14H2,1-3H3,(H,15,16,17).
What are the key properties of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107601171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).