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

C13H16F3N3O3 — CID 56874336

IUPAC2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C13H16F3N3O3/c1-7(2)10-17-5-8(11(20)18-10)12(21)19-3-4-22-9(6-19)13(14,15)16/h5,7,9H,3-4,6H2,1-2H3,(H,17,18,20)
InChIKeyFZYDXAMUTDVLBP-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.30
Rot. Bonds2

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

2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56874336) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
PubChem CID56874336
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C13H16F3N3O3/c1-7(2)10-17-5-8(11(20)18-10)12(21)19-3-4-22-9(6-19)13(14,15)16/h5,7,9H,3-4,6H2,1-2H3,(H,17,18,20)
InChIKeyFZYDXAMUTDVLBP-UHFFFAOYSA-N
XLogP1.30
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 56862439
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-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
2-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 95402827
2-cyclopropyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95539293
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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (CID 56874336) is 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is FZYDXAMUTDVLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-7(2)10-17-5-8(11(20)18-10)12(21)19-3-4-22-9(6-19)13(14,15)16/h5,7,9H,3-4,6H2,1-2H3,(H,17,18,20).
What are the key properties of 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 319.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56874336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).