4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine

C17H15F3N4O — CID 23018314

IUPAC4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine
SMILESCc1nc2nccn2c(N2CCOCC2)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C17H15F3N4O/c1-10-14(15-12(19)8-11(18)9-13(15)20)16(23-4-6-25-7-5-23)24-3-2-21-17(24)22-10/h2-3,8-9H,4-7H2,1H3
InChIKeyASTOLFWMLMFCEB-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.96
Rot. Bonds2

About 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine

4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine (PubChem CID 23018314) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine
PubChem CID23018314
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine
SMILESCc1nc2nccn2c(N2CCOCC2)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C17H15F3N4O/c1-10-14(15-12(19)8-11(18)9-13(15)20)16(23-4-6-25-7-5-23)24-3-2-21-17(24)22-10/h2-3,8-9H,4-7H2,1H3
InChIKeyASTOLFWMLMFCEB-UHFFFAOYSA-N
XLogP2.96
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine (CID 23018314) is 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine is Cc1nc2nccn2c(N2CCOCC2)c1-c1c(F)cc(F)cc1F.
What is the InChIKey of 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine?
The InChIKey is ASTOLFWMLMFCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10-14(15-12(19)8-11(18)9-13(15)20)16(23-4-6-25-7-5-23)24-3-2-21-17(24)22-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine?
4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine has a molecular weight of 348.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 23018314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).