N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide

C12H14N4O3S — CID 70593892

IUPACN-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(N)c(=O)n2C)cc1
InChIInChI=1S/C12H14N4O3S/c1-8-3-5-9(6-4-8)20(18,19)15-12-14-7-10(13)11(17)16(12)2/h3-7H,13H2,1-2H3,(H,14,15)
InChIKeyVNADBLXWIKPSND-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.47
Rot. Bonds3

About N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide

N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 70593892) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID70593892
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(N)c(=O)n2C)cc1
InChIInChI=1S/C12H14N4O3S/c1-8-3-5-9(6-4-8)20(18,19)15-12-14-7-10(13)11(17)16(12)2/h3-7H,13H2,1-2H3,(H,14,15)
InChIKeyVNADBLXWIKPSND-UHFFFAOYSA-N
XLogP0.47
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 70593892) is N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(N)c(=O)n2C)cc1.
What is the InChIKey of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is VNADBLXWIKPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-3-5-9(6-4-8)20(18,19)15-12-14-7-10(13)11(17)16(12)2/h3-7H,13H2,1-2H3,(H,14,15).
What are the key properties of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 70593892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).