7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine

C15H15FN4 — CID 129019531

IUPAC7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine
SMILESFC1=CCC(c2cn3ccc(N4CCC4)nc3n2)C=C1
InChIInChI=1S/C15H15FN4/c16-12-4-2-11(3-5-12)13-10-20-9-6-14(18-15(20)17-13)19-7-1-8-19/h2,4-6,9-11H,1,3,7-8H2
InChIKeyKGYHYKVGWQIOIM-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.84
Rot. Bonds2

About 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine

7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine (PubChem CID 129019531) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine
PubChem CID129019531
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine
SMILESFC1=CCC(c2cn3ccc(N4CCC4)nc3n2)C=C1
InChIInChI=1S/C15H15FN4/c16-12-4-2-11(3-5-12)13-10-20-9-6-14(18-15(20)17-13)19-7-1-8-19/h2,4-6,9-11H,1,3,7-8H2
InChIKeyKGYHYKVGWQIOIM-UHFFFAOYSA-N
XLogP2.84
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine (CID 129019531) is 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine is FC1=CCC(c2cn3ccc(N4CCC4)nc3n2)C=C1.
What is the InChIKey of 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is KGYHYKVGWQIOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c16-12-4-2-11(3-5-12)13-10-20-9-6-14(18-15(20)17-13)19-7-1-8-19/h2,4-6,9-11H,1,3,7-8H2.
What are the key properties of 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine?
7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 270.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 129019531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).