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

C11H14F3N3O3 — CID 95548955

IUPAC(2S)-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-/m0/s1
InChIKeySRDVCJVOXHDIMK-ZETCQYMHSA-N
MW293.25 g/mol
LogP1.26
Rot. Bonds3

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

(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 95548955) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID95548955
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name(2S)-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-/m0/s1
InChIKeySRDVCJVOXHDIMK-ZETCQYMHSA-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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Related Compounds

4-(6-Methoxypyrimidin-4-yl)morpholine
CID 3242788
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 44577413
2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 44577414
4-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-6-isopropoxypyrimidin-2-amine
CID 50972422
4-(2,6-Dimethoxypyrimidin-4-yl)morpholine
CID 135006593
4-Propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
CID 56874671
(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine
CID 97325062
4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124575984
(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide
CID 164641932
2-Ethoxy-4,6-bis(1-fluoroethoxy)pyrimidine
CID 19419820
4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine
CID 23358663

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine (CID 95548955) is (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-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 (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is SRDVCJVOXHDIMK-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
(2S)-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 (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95548955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).