2-aminopyrimidine-5-sulfonamide

C4H6N4O2S — CID 53420996

IUPAC2-aminopyrimidine-5-sulfonamide
SMILESNc1ncc(S(N)(=O)=O)cn1
InChIInChI=1S/C4H6N4O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H,(H2,5,7,8)(H2,6,9,10)
InChIKeyQDRARHQVEYBKSS-UHFFFAOYSA-N
MW174.19 g/mol
LogP-1.29
Rot. Bonds1

About 2-aminopyrimidine-5-sulfonamide

2-aminopyrimidine-5-sulfonamide (PubChem CID 53420996) has the molecular formula C4H6N4O2S and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-aminopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-aminopyrimidine-5-sulfonamide
PubChem CID53420996
Molecular FormulaC4H6N4O2S
Molecular Weight174.19 g/mol
Exact Mass174.02
IUPAC Name2-aminopyrimidine-5-sulfonamide
SMILESNc1ncc(S(N)(=O)=O)cn1
InChIInChI=1S/C4H6N4O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H,(H2,5,7,8)(H2,6,9,10)
InChIKeyQDRARHQVEYBKSS-UHFFFAOYSA-N
XLogP-1.29
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyrimidine-5-sulfonamide?
The IUPAC name of 2-aminopyrimidine-5-sulfonamide (CID 53420996) is 2-aminopyrimidine-5-sulfonamide.
What is the SMILES notation for 2-aminopyrimidine-5-sulfonamide?
The canonical SMILES for 2-aminopyrimidine-5-sulfonamide is Nc1ncc(S(N)(=O)=O)cn1.
What is the InChIKey of 2-aminopyrimidine-5-sulfonamide?
The InChIKey is QDRARHQVEYBKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H,(H2,5,7,8)(H2,6,9,10).
What are the key properties of 2-aminopyrimidine-5-sulfonamide?
2-aminopyrimidine-5-sulfonamide has a molecular weight of 174.19 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrimidine-5-sulfonamide is sourced from PubChem (CID 53420996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).