4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide

C10H11N5O2S — CID 2608

IUPAC4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
SMILESNc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
InChIKeyFVFVVRPJERUECT-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.45
Rot. Bonds3

About 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide

4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide (PubChem CID 2608) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
PubChem CID2608
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
SMILESNc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
InChIKeyFVFVVRPJERUECT-UHFFFAOYSA-N
XLogP0.45
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide (CID 2608) is 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide is Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1.
What is the InChIKey of 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide?
The InChIKey is FVFVVRPJERUECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15).
What are the key properties of 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide?
4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide has a molecular weight of 265.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 2608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).