6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde

C11H11N3O — CID 83916144

IUPAC6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2ncc(C3CCC3)cn12
InChIInChI=1S/C11H11N3O/c15-7-10-5-13-11-12-4-9(6-14(10)11)8-2-1-3-8/h4-8H,1-3H2
InChIKeyLPCKYPIPRWOJIL-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.81
Rot. Bonds2

About 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde

6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 83916144) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID83916144
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2ncc(C3CCC3)cn12
InChIInChI=1S/C11H11N3O/c15-7-10-5-13-11-12-4-9(6-14(10)11)8-2-1-3-8/h4-8H,1-3H2
InChIKeyLPCKYPIPRWOJIL-UHFFFAOYSA-N
XLogP1.81
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.81
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 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 83916144) is 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1cnc2ncc(C3CCC3)cn12.
What is the InChIKey of 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is LPCKYPIPRWOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-7-10-5-13-11-12-4-9(6-14(10)11)8-2-1-3-8/h4-8H,1-3H2.
What are the key properties of 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 83916144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).