2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine

C13H14FN3 — CID 178058726

IUPAC2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine
SMILESC=CC1(F)CC(c2cn3cc(C)cnc3n2)C1
InChIInChI=1S/C13H14FN3/c1-3-13(14)4-10(5-13)11-8-17-7-9(2)6-15-12(17)16-11/h3,6-8,10H,1,4-5H2,2H3
InChIKeyJCIHAKZOQYAIOQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine

2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine (PubChem CID 178058726) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine
PubChem CID178058726
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine
SMILESC=CC1(F)CC(c2cn3cc(C)cnc3n2)C1
InChIInChI=1S/C13H14FN3/c1-3-13(14)4-10(5-13)11-8-17-7-9(2)6-15-12(17)16-11/h3,6-8,10H,1,4-5H2,2H3
InChIKeyJCIHAKZOQYAIOQ-UHFFFAOYSA-N
XLogP2.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine (CID 178058726) is 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine is C=CC1(F)CC(c2cn3cc(C)cnc3n2)C1.
What is the InChIKey of 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
The InChIKey is JCIHAKZOQYAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-3-13(14)4-10(5-13)11-8-17-7-9(2)6-15-12(17)16-11/h3,6-8,10H,1,4-5H2,2H3.
What are the key properties of 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine has a molecular weight of 231.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-3-fluorocyclobutyl)-6-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 178058726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).