2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H14F3N3O2 — CID 135674880

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc(C(F)(F)F)cc(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C11H14F3N3O2/c1-6-4-17(5-7(2)19-6)10-15-8(11(12,13)14)3-9(18)16-10/h3,6-7H,4-5H2,1-2H3,(H,15,16,18)/t6-,7+
InChIKeyBZBWIMGJPBXHSD-KNVOCYPGSA-N
MW277.25 g/mol
LogP1.40
Rot. Bonds1

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135674880) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135674880
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc(C(F)(F)F)cc(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C11H14F3N3O2/c1-6-4-17(5-7(2)19-6)10-15-8(11(12,13)14)3-9(18)16-10/h3,6-7H,4-5H2,1-2H3,(H,15,16,18)/t6-,7+
InChIKeyBZBWIMGJPBXHSD-KNVOCYPGSA-N
XLogP1.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135674880) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is C[C@@H]1CN(c2nc(C(F)(F)F)cc(=O)[nH]2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is BZBWIMGJPBXHSD-KNVOCYPGSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6-4-17(5-7(2)19-6)10-15-8(11(12,13)14)3-9(18)16-10/h3,6-7H,4-5H2,1-2H3,(H,15,16,18)/t6-,7+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 277.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135674880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).