4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine

C17H17FN4O — CID 1481912

IUPAC4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C17H17FN4O/c1-12-10-16(21-6-8-23-9-7-21)22-11-15(20-17(22)19-12)13-2-4-14(18)5-3-13/h2-5,10-11H,6-9H2,1H3
InChIKeyBDFDRABYLYWFQF-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.68
Rot. Bonds2

About 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine

4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine (PubChem CID 1481912) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine
PubChem CID1481912
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C17H17FN4O/c1-12-10-16(21-6-8-23-9-7-21)22-11-15(20-17(22)19-12)13-2-4-14(18)5-3-13/h2-5,10-11H,6-9H2,1H3
InChIKeyBDFDRABYLYWFQF-UHFFFAOYSA-N
XLogP2.68
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine (CID 1481912) is 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine is Cc1cc(N2CCOCC2)n2cc(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine?
The InChIKey is BDFDRABYLYWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12-10-16(21-6-8-23-9-7-21)22-11-15(20-17(22)19-12)13-2-4-14(18)5-3-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine?
4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine has a molecular weight of 312.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 1481912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).