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

C17H22N6O3S — CID 162477913

IUPAC4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide
SMILESCCCC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C
InChIInChI=1S/C17H22N6O3S/c1-4-5-13-16(24)23(3)14-10-19-17(21-15(14)22(13)2)20-11-6-8-12(9-7-11)27(18,25)26/h6-10,13H,4-5H2,1-3H3,(H2,18,25,26)(H,19,20,21)
InChIKeyIMHMEFKERQOTPM-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.45
Rot. Bonds5

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

4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide (PubChem CID 162477913) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide
PubChem CID162477913
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide
SMILESCCCC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C
InChIInChI=1S/C17H22N6O3S/c1-4-5-13-16(24)23(3)14-10-19-17(21-15(14)22(13)2)20-11-6-8-12(9-7-11)27(18,25)26/h6-10,13H,4-5H2,1-3H3,(H2,18,25,26)(H,19,20,21)
InChIKeyIMHMEFKERQOTPM-UHFFFAOYSA-N
XLogP1.45
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide (CID 162477913) is 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide is CCCC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C.
What is the InChIKey of 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide?
The InChIKey is IMHMEFKERQOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c1-4-5-13-16(24)23(3)14-10-19-17(21-15(14)22(13)2)20-11-6-8-12(9-7-11)27(18,25)26/h6-10,13H,4-5H2,1-3H3,(H2,18,25,26)(H,19,20,21).
What are the key properties of 4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide?
4-[(5,8-dimethyl-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 1.45, 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-6-oxo-7-propyl-7H-pteridin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 162477913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).