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

C15H18N6O3S — CID 146202280

IUPAC4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide
SMILESCN1CC(=O)N(C)c2cnc(NCc3ccc(S(N)(=O)=O)cc3)nc21
InChIInChI=1S/C15H18N6O3S/c1-20-9-13(22)21(2)12-8-18-15(19-14(12)20)17-7-10-3-5-11(6-4-10)25(16,23)24/h3-6,8H,7,9H2,1-2H3,(H2,16,23,24)(H,17,18,19)
InChIKeyVHCWODGVYLXRKU-UHFFFAOYSA-N
MW362.42 g/mol
LogP0.15
Rot. Bonds4

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

4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 146202280) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide
PubChem CID146202280
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide
SMILESCN1CC(=O)N(C)c2cnc(NCc3ccc(S(N)(=O)=O)cc3)nc21
InChIInChI=1S/C15H18N6O3S/c1-20-9-13(22)21(2)12-8-18-15(19-14(12)20)17-7-10-3-5-11(6-4-10)25(16,23)24/h3-6,8H,7,9H2,1-2H3,(H2,16,23,24)(H,17,18,19)
InChIKeyVHCWODGVYLXRKU-UHFFFAOYSA-N
XLogP0.15
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

5,8-dimethyl-2-[[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methylamino]-7H-pteridin-6-one;propane
CID 153355462
4-[(7-ethyl-5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
CID 159029635
5-methyl-2-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-8-propyl-7H-pteridin-6-one
CID 146202447
4-[[(7R)-5,8-dimethyl-6-oxo-7-phenyl-7H-pteridin-2-yl]amino]benzenesulfonamide
CID 162477908
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347
4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
CID 157016797
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 742569
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide
CID 154878339

Frequently Asked Questions

What is the IUPAC name of 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide (CID 146202280) is 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide is CN1CC(=O)N(C)c2cnc(NCc3ccc(S(N)(=O)=O)cc3)nc21.
What is the InChIKey of 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is VHCWODGVYLXRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-20-9-13(22)21(2)12-8-18-15(19-14(12)20)17-7-10-3-5-11(6-4-10)25(16,23)24/h3-6,8H,7,9H2,1-2H3,(H2,16,23,24)(H,17,18,19).
What are the key properties of 4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide?
4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 362.42 g/mol, XLogP of 0.15, 4 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-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 146202280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).