5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C7H6N4O2 — CID 82375433

IUPAC5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)[nH]c2ncncc12
InChIInChI=1S/C7H6N4O2/c8-4-3-1-9-2-10-6(3)11-5(4)7(12)13/h1-2H,8H2,(H,12,13)(H,9,10,11)
InChIKeyRLZBENYEHIMVRV-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.24
Rot. Bonds1

About 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 82375433) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID82375433
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)[nH]c2ncncc12
InChIInChI=1S/C7H6N4O2/c8-4-3-1-9-2-10-6(3)11-5(4)7(12)13/h1-2H,8H2,(H,12,13)(H,9,10,11)
InChIKeyRLZBENYEHIMVRV-UHFFFAOYSA-N
XLogP0.24
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 82375433) is 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is Nc1c(C(=O)O)[nH]c2ncncc12.
What is the InChIKey of 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is RLZBENYEHIMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-4-3-1-9-2-10-6(3)11-5(4)7(12)13/h1-2H,8H2,(H,12,13)(H,9,10,11).
What are the key properties of 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82375433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).