2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine

C18H19FN4O — CID 86342243

IUPAC2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
SMILESFCCOc1ccc(-c2cn3ccc(N4CCCC4)nc3n2)cc1
InChIInChI=1S/C18H19FN4O/c19-8-12-24-15-5-3-14(4-6-15)16-13-23-11-7-17(21-18(23)20-16)22-9-1-2-10-22/h3-7,11,13H,1-2,8-10,12H2
InChIKeyDEGOIECGIVVVGJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.34
Rot. Bonds5

About 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine

2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine (PubChem CID 86342243) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
PubChem CID86342243
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
SMILESFCCOc1ccc(-c2cn3ccc(N4CCCC4)nc3n2)cc1
InChIInChI=1S/C18H19FN4O/c19-8-12-24-15-5-3-14(4-6-15)16-13-23-11-7-17(21-18(23)20-16)22-9-1-2-10-22/h3-7,11,13H,1-2,8-10,12H2
InChIKeyDEGOIECGIVVVGJ-UHFFFAOYSA-N
XLogP3.34
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine (CID 86342243) is 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine is FCCOc1ccc(-c2cn3ccc(N4CCCC4)nc3n2)cc1.
What is the InChIKey of 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
The InChIKey is DEGOIECGIVVVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-8-12-24-15-5-3-14(4-6-15)16-13-23-11-7-17(21-18(23)20-16)22-9-1-2-10-22/h3-7,11,13H,1-2,8-10,12H2.
What are the key properties of 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine has a molecular weight of 326.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 86342243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).