3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde

C8H6ClN3O — CID 55264131

IUPAC3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2ncc(CCl)n2c1
InChIInChI=1S/C8H6ClN3O/c9-1-7-3-11-8-10-2-6(5-13)4-12(7)8/h2-5H,1H2
InChIKeyZLSZDZNTFVKHQB-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.28
Rot. Bonds2

About 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde

3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde (PubChem CID 55264131) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde
PubChem CID55264131
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2ncc(CCl)n2c1
InChIInChI=1S/C8H6ClN3O/c9-1-7-3-11-8-10-2-6(5-13)4-12(7)8/h2-5H,1H2
InChIKeyZLSZDZNTFVKHQB-UHFFFAOYSA-N
XLogP1.28
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde (CID 55264131) is 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde is O=Cc1cnc2ncc(CCl)n2c1.
What is the InChIKey of 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde?
The InChIKey is ZLSZDZNTFVKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-1-7-3-11-8-10-2-6(5-13)4-12(7)8/h2-5H,1H2.
What are the key properties of 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde?
3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde has a molecular weight of 195.61 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)imidazo[1,2-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 55264131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).