4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide

C11H14N6O2S — CID 10708918

IUPAC4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide
SMILESCNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(N)n1
InChIInChI=1S/C11H14N6O2S/c1-14-9-6-10(16-11(13)15-9)17-20(18,19)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H4,13,14,15,16,17)
InChIKeyKJMQPPAFKBQJJF-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.48
Rot. Bonds4

About 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide

4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 10708918) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide
PubChem CID10708918
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide
SMILESCNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(N)n1
InChIInChI=1S/C11H14N6O2S/c1-14-9-6-10(16-11(13)15-9)17-20(18,19)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H4,13,14,15,16,17)
InChIKeyKJMQPPAFKBQJJF-UHFFFAOYSA-N
XLogP0.48
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide (CID 10708918) is 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide is CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(N)n1.
What is the InChIKey of 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is KJMQPPAFKBQJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-14-9-6-10(16-11(13)15-9)17-20(18,19)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide?
4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-amino-6-(methylamino)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 10708918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).