2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one

C13H14F3N3O3 — CID 95539293

IUPAC2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)9-6-19(3-4-22-9)12(21)8-5-17-10(7-1-2-7)18-11(8)20/h5,7,9H,1-4,6H2,(H,17,18,20)/t9-/m0/s1
InChIKeyWFSJGLOZIVBMEX-VIFPVBQESA-N
MW317.27 g/mol
LogP1.05
Rot. Bonds2

About 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (PubChem CID 95539293) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
PubChem CID95539293
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)9-6-19(3-4-22-9)12(21)8-5-17-10(7-1-2-7)18-11(8)20/h5,7,9H,1-4,6H2,(H,17,18,20)/t9-/m0/s1
InChIKeyWFSJGLOZIVBMEX-VIFPVBQESA-N
XLogP1.05
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-isopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56874336
2-cyclopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56867505
2-methyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56869394
5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56876065
2-cyclopropyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95539294
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549658
2-propan-2-yl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554072
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95555739
5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95555740
2-cyclopropyl-5-[7-(trifluoromethyl)-1,4-oxazepane-4-carbonyl]-1H-pyrimidin-6-one
CID 138055246

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (CID 95539293) is 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is WFSJGLOZIVBMEX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F3N3O3/c14-13(15,16)9-6-19(3-4-22-9)12(21)8-5-17-10(7-1-2-7)18-11(8)20/h5,7,9H,1-4,6H2,(H,17,18,20)/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 317.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 95539293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).