2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde

C11H14N2O — CID 126991748

IUPAC2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(CC2CCCC2)n1
InChIInChI=1S/C11H14N2O/c14-8-10-5-6-12-11(13-10)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2
InChIKeySMWHQAAGJVDVNK-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.02
Rot. Bonds3

About 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde

2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde (PubChem CID 126991748) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde
PubChem CID126991748
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(CC2CCCC2)n1
InChIInChI=1S/C11H14N2O/c14-8-10-5-6-12-11(13-10)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2
InChIKeySMWHQAAGJVDVNK-UHFFFAOYSA-N
XLogP2.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.02
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-(cyclopentylmethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde (CID 126991748) is 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde is O=Cc1ccnc(CC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde?
The InChIKey is SMWHQAAGJVDVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-8-10-5-6-12-11(13-10)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2.
What are the key properties of 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde?
2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 126991748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).