2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde

C14H19N3O — CID 113387652

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(N2CCCC2C2CCCC2)nc1
InChIInChI=1S/C14H19N3O/c18-10-11-8-15-14(16-9-11)17-7-3-6-13(17)12-4-1-2-5-12/h8-10,12-13H,1-7H2
InChIKeyOQNHOGLOSWLSFT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde

2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde (PubChem CID 113387652) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
PubChem CID113387652
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(N2CCCC2C2CCCC2)nc1
InChIInChI=1S/C14H19N3O/c18-10-11-8-15-14(16-9-11)17-7-3-6-13(17)12-4-1-2-5-12/h8-10,12-13H,1-7H2
InChIKeyOQNHOGLOSWLSFT-UHFFFAOYSA-N
XLogP2.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
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 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde (CID 113387652) is 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde is O=Cc1cnc(N2CCCC2C2CCCC2)nc1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
The InChIKey is OQNHOGLOSWLSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-10-11-8-15-14(16-9-11)17-7-3-6-13(17)12-4-1-2-5-12/h8-10,12-13H,1-7H2.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde has a molecular weight of 245.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 113387652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).