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

C11H12F3N3O3 — CID 56869394

IUPAC2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C11H12F3N3O3/c1-6-15-4-7(9(18)16-6)10(19)17-2-3-20-8(5-17)11(12,13)14/h4,8H,2-3,5H2,1H3,(H,15,16,18)
InChIKeyYCALBTLZKZJWFR-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.48
Rot. Bonds1

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

2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56869394) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
PubChem CID56869394
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C11H12F3N3O3/c1-6-15-4-7(9(18)16-6)10(19)17-2-3-20-8(5-17)11(12,13)14/h4,8H,2-3,5H2,1H3,(H,15,16,18)
InChIKeyYCALBTLZKZJWFR-UHFFFAOYSA-N
XLogP0.48
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455
2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 163309470
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95509697
1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
CID 95548927
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 56865765
(3S,4S)-4-cyclopropyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72838996
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (CID 56869394) is 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is YCALBTLZKZJWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-6-15-4-7(9(18)16-6)10(19)17-2-3-20-8(5-17)11(12,13)14/h4,8H,2-3,5H2,1H3,(H,15,16,18).
What are the key properties of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 291.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56869394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).