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

C10H10F3N3O3 — CID 95555740

IUPAC5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)7-4-16(1-2-19-7)9(18)6-3-14-5-15-8(6)17/h3,5,7H,1-2,4H2,(H,14,15,17)/t7-/m1/s1
InChIKeyGAWWQRWMPZXTAK-SSDOTTSWSA-N
MW277.20 g/mol
LogP0.17
Rot. Bonds1

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

5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (PubChem CID 95555740) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
PubChem CID95555740
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)7-4-16(1-2-19-7)9(18)6-3-14-5-15-8(6)17/h3,5,7H,1-2,4H2,(H,14,15,17)/t7-/m1/s1
InChIKeyGAWWQRWMPZXTAK-SSDOTTSWSA-N
XLogP0.17
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.17
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-[(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
5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95555739
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (CID 95555740) is 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is GAWWQRWMPZXTAK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c11-10(12,13)7-4-16(1-2-19-7)9(18)6-3-14-5-15-8(6)17/h3,5,7H,1-2,4H2,(H,14,15,17)/t7-/m1/s1.
What are the key properties of 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 277.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 95555740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).