4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid

C6H6N4O3S — CID 73012701

IUPAC4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
SMILESNc1nc(S(=O)(=O)O)nc2[nH]ccc12
InChIInChI=1S/C6H6N4O3S/c7-4-3-1-2-8-5(3)10-6(9-4)14(11,12)13/h1-2H,(H,11,12,13)(H3,7,8,9,10)
InChIKeyZIEZCMWFXJRRMU-UHFFFAOYSA-N
MW214.21 g/mol
LogP-0.21
Rot. Bonds1

About 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid

4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid (PubChem CID 73012701) has the molecular formula C6H6N4O3S and a molecular weight of 214.21 g/mol. Its IUPAC name is 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid.

Molecular Properties

Compound Name4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
PubChem CID73012701
Molecular FormulaC6H6N4O3S
Molecular Weight214.21 g/mol
Exact Mass214.02
IUPAC Name4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
SMILESNc1nc(S(=O)(=O)O)nc2[nH]ccc12
InChIInChI=1S/C6H6N4O3S/c7-4-3-1-2-8-5(3)10-6(9-4)14(11,12)13/h1-2H,(H,11,12,13)(H3,7,8,9,10)
InChIKeyZIEZCMWFXJRRMU-UHFFFAOYSA-N
XLogP-0.21
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid?
The IUPAC name of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid (CID 73012701) is 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid.
What is the SMILES notation for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid?
The canonical SMILES for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid is Nc1nc(S(=O)(=O)O)nc2[nH]ccc12.
What is the InChIKey of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid?
The InChIKey is ZIEZCMWFXJRRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3S/c7-4-3-1-2-8-5(3)10-6(9-4)14(11,12)13/h1-2H,(H,11,12,13)(H3,7,8,9,10).
What are the key properties of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid?
4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid has a molecular weight of 214.21 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid is sourced from PubChem (CID 73012701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).