(2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine

C11H14F3N3O3 — CID 95548956

IUPAC(2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCOc1cc(OC)nc(N2CCO[C@@H](C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O3/c1-18-8-5-9(19-2)16-10(15-8)17-3-4-20-7(6-17)11(12,13)14/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeySRDVCJVOXHDIMK-SSDOTTSWSA-N
MW293.25 g/mol
LogP1.26
Rot. Bonds3

About (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine

(2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 95548956) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID95548956
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name(2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCOc1cc(OC)nc(N2CCO[C@@H](C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O3/c1-18-8-5-9(19-2)16-10(15-8)17-3-4-20-7(6-17)11(12,13)14/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeySRDVCJVOXHDIMK-SSDOTTSWSA-N
XLogP1.26
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine (CID 95548956) is (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine is COc1cc(OC)nc(N2CCO[C@@H](C(F)(F)F)C2)n1.
What is the InChIKey of (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is SRDVCJVOXHDIMK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-18-8-5-9(19-2)16-10(15-8)17-3-4-20-7(6-17)11(12,13)14/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
(2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 293.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95548956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).