4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide

C18H24N6O3S — CID 158163447

IUPAC4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
SMILESCC(C)CC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C
InChIInChI=1S/C18H24N6O3S/c1-11(2)9-14-17(25)24(4)15-10-20-18(22-16(15)23(14)3)21-12-5-7-13(8-6-12)28(19,26)27/h5-8,10-11,14H,9H2,1-4H3,(H2,19,26,27)(H,20,21,22)
InChIKeyFWNYUNNYPOWOMW-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.69
Rot. Bonds5

About 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide

4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide (PubChem CID 158163447) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
PubChem CID158163447
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Name4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
SMILESCC(C)CC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C
InChIInChI=1S/C18H24N6O3S/c1-11(2)9-14-17(25)24(4)15-10-20-18(22-16(15)23(14)3)21-12-5-7-13(8-6-12)28(19,26)27/h5-8,10-11,14H,9H2,1-4H3,(H2,19,26,27)(H,20,21,22)
InChIKeyFWNYUNNYPOWOMW-UHFFFAOYSA-N
XLogP1.69
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide (CID 158163447) is 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide is CC(C)CC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C.
What is the InChIKey of 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
The InChIKey is FWNYUNNYPOWOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-11(2)9-14-17(25)24(4)15-10-20-18(22-16(15)23(14)3)21-12-5-7-13(8-6-12)28(19,26)27/h5-8,10-11,14H,9H2,1-4H3,(H2,19,26,27)(H,20,21,22).
What are the key properties of 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide?
4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158163447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).