2-cyclopentylpyrimidine-4-carbaldehyde

C10H12N2O — CID 62749496

IUPAC2-cyclopentylpyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(C2CCCC2)n1
InChIInChI=1S/C10H12N2O/c13-7-9-5-6-11-10(12-9)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyDQWYZVSYGSRUAN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.95
Rot. Bonds2

About 2-cyclopentylpyrimidine-4-carbaldehyde

2-cyclopentylpyrimidine-4-carbaldehyde (PubChem CID 62749496) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-cyclopentylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentylpyrimidine-4-carbaldehyde
PubChem CID62749496
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-cyclopentylpyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(C2CCCC2)n1
InChIInChI=1S/C10H12N2O/c13-7-9-5-6-11-10(12-9)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyDQWYZVSYGSRUAN-UHFFFAOYSA-N
XLogP1.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclopentylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-cyclopentylpyrimidine-4-carbaldehyde (CID 62749496) is 2-cyclopentylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-cyclopentylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-cyclopentylpyrimidine-4-carbaldehyde is O=Cc1ccnc(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentylpyrimidine-4-carbaldehyde?
The InChIKey is DQWYZVSYGSRUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-7-9-5-6-11-10(12-9)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of 2-cyclopentylpyrimidine-4-carbaldehyde?
2-cyclopentylpyrimidine-4-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 62749496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).