4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine

C15H19F3N4O — CID 139021571

IUPAC4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)[C@]12CC[C@H]1CN(c1nccc(N3CCOCC3)n1)C2
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)14-3-1-11(14)9-22(10-14)13-19-4-2-12(20-13)21-5-7-23-8-6-21/h2,4,11H,1,3,5-10H2/t11-,14-/m0/s1
InChIKeyFBFLMGPXYDZXKV-FZMZJTMJSA-N
MW328.34 g/mol
LogP2.09
Rot. Bonds2

About 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine

4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139021571) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139021571
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)[C@]12CC[C@H]1CN(c1nccc(N3CCOCC3)n1)C2
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)14-3-1-11(14)9-22(10-14)13-19-4-2-12(20-13)21-5-7-23-8-6-21/h2,4,11H,1,3,5-10H2/t11-,14-/m0/s1
InChIKeyFBFLMGPXYDZXKV-FZMZJTMJSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575963
4-[2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074667
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757
(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 67953165
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994408
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine (CID 139021571) is 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine is FC(F)(F)[C@]12CC[C@H]1CN(c1nccc(N3CCOCC3)n1)C2.
What is the InChIKey of 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is FBFLMGPXYDZXKV-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)14-3-1-11(14)9-22(10-14)13-19-4-2-12(20-13)21-5-7-23-8-6-21/h2,4,11H,1,3,5-10H2/t11-,14-/m0/s1.
What are the key properties of 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine?
4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 328.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139021571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).