7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C12H13N3O — CID 91170837

IUPAC7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESO=Cc1cn(C2CCCC2)c2ncncc12
InChIInChI=1S/C12H13N3O/c16-7-9-6-15(10-3-1-2-4-10)12-11(9)5-13-8-14-12/h5-8,10H,1-4H2
InChIKeyRASQNFYQVAEIGV-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.36
Rot. Bonds2

About 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde

7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 91170837) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PubChem CID91170837
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESO=Cc1cn(C2CCCC2)c2ncncc12
InChIInChI=1S/C12H13N3O/c16-7-9-6-15(10-3-1-2-4-10)12-11(9)5-13-8-14-12/h5-8,10H,1-4H2
InChIKeyRASQNFYQVAEIGV-UHFFFAOYSA-N
XLogP2.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The IUPAC name of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 91170837) is 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The canonical SMILES for 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde is O=Cc1cn(C2CCCC2)c2ncncc12.
What is the InChIKey of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The InChIKey is RASQNFYQVAEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-7-9-6-15(10-3-1-2-4-10)12-11(9)5-13-8-14-12/h5-8,10H,1-4H2.
What are the key properties of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 215.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 91170837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).