2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

C9H10ClN3 — CID 693330

IUPAC2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCl)nc2n1
InChIInChI=1S/C9H10ClN3/c1-6-3-7(2)13-5-8(4-10)12-9(13)11-6/h3,5H,4H2,1-2H3
InChIKeyCMDAULOGOZCZQT-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.08
Rot. Bonds1

About 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 693330) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID693330
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCl)nc2n1
InChIInChI=1S/C9H10ClN3/c1-6-3-7(2)13-5-8(4-10)12-9(13)11-6/h3,5H,4H2,1-2H3
InChIKeyCMDAULOGOZCZQT-UHFFFAOYSA-N
XLogP2.08
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 693330) is 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CCl)nc2n1.
What is the InChIKey of 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is CMDAULOGOZCZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-6-3-7(2)13-5-8(4-10)12-9(13)11-6/h3,5H,4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 195.65 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 693330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).