4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid

C9H9N3O2 — CID 82375464

IUPAC4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
SMILESCCc1nc(C(=O)O)nc2[nH]ccc12
InChIInChI=1S/C9H9N3O2/c1-2-6-5-3-4-10-7(5)12-8(11-6)9(13)14/h3-4H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyGLOLOIUGSMBDLP-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.22
Rot. Bonds2

About 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid

4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid (PubChem CID 82375464) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
PubChem CID82375464
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
SMILESCCc1nc(C(=O)O)nc2[nH]ccc12
InChIInChI=1S/C9H9N3O2/c1-2-6-5-3-4-10-7(5)12-8(11-6)9(13)14/h3-4H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyGLOLOIUGSMBDLP-UHFFFAOYSA-N
XLogP1.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid (CID 82375464) is 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid is CCc1nc(C(=O)O)nc2[nH]ccc12.
What is the InChIKey of 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid?
The InChIKey is GLOLOIUGSMBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-6-5-3-4-10-7(5)12-8(11-6)9(13)14/h3-4H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid?
4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82375464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).