2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

C17H17N3O2 — CID 82135013

IUPAC2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCCOc1cc(C)c(-c2nc3ncccn3c2C=O)cc1C
InChIInChI=1S/C17H17N3O2/c1-4-22-15-9-11(2)13(8-12(15)3)16-14(10-21)20-7-5-6-18-17(20)19-16/h5-10H,4H2,1-3H3
InChIKeyLSAVWLNCEFKGRV-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 82135013) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID82135013
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCCOc1cc(C)c(-c2nc3ncccn3c2C=O)cc1C
InChIInChI=1S/C17H17N3O2/c1-4-22-15-9-11(2)13(8-12(15)3)16-14(10-21)20-7-5-6-18-17(20)19-16/h5-10H,4H2,1-3H3
InChIKeyLSAVWLNCEFKGRV-UHFFFAOYSA-N
XLogP3.22
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 82135013) is 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is CCOc1cc(C)c(-c2nc3ncccn3c2C=O)cc1C.
What is the InChIKey of 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is LSAVWLNCEFKGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-22-15-9-11(2)13(8-12(15)3)16-14(10-21)20-7-5-6-18-17(20)19-16/h5-10H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 82135013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).