2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde

C9H9N3O — CID 123807973

IUPAC2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde
SMILESCCc1cn2ccc(C=O)nc2n1
InChIInChI=1S/C9H9N3O/c1-2-7-5-12-4-3-8(6-13)11-9(12)10-7/h3-6H,2H2,1H3
InChIKeyLKHLUDTXQUAJNK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.10
Rot. Bonds2

About 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde

2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde (PubChem CID 123807973) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Name2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde
PubChem CID123807973
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde
SMILESCCc1cn2ccc(C=O)nc2n1
InChIInChI=1S/C9H9N3O/c1-2-7-5-12-4-3-8(6-13)11-9(12)10-7/h3-6H,2H2,1H3
InChIKeyLKHLUDTXQUAJNK-UHFFFAOYSA-N
XLogP1.10
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.10
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-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
The IUPAC name of 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde (CID 123807973) is 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde.
What is the SMILES notation for 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
The canonical SMILES for 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde is CCc1cn2ccc(C=O)nc2n1.
What is the InChIKey of 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
The InChIKey is LKHLUDTXQUAJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-7-5-12-4-3-8(6-13)11-9(12)10-7/h3-6H,2H2,1H3.
What are the key properties of 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimidazo[1,2-a]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 123807973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).