(2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine

C11H14F3N3O2 — CID 95445316

IUPAC(2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCOCc1cc(N2CCO[C@H](C(F)(F)F)C2)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-18-6-8-4-10(16-7-15-8)17-2-3-19-9(5-17)11(12,13)14/h4,7,9H,2-3,5-6H2,1H3/t9-/m0/s1
InChIKeyKTSQYBUNCRLWOI-VIFPVBQESA-N
MW277.25 g/mol
LogP1.39
Rot. Bonds3

About (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine

(2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (PubChem CID 95445316) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
PubChem CID95445316
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name(2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCOCc1cc(N2CCO[C@H](C(F)(F)F)C2)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-18-6-8-4-10(16-7-15-8)17-2-3-19-9(5-17)11(12,13)14/h4,7,9H,2-3,5-6H2,1H3/t9-/m0/s1
InChIKeyKTSQYBUNCRLWOI-VIFPVBQESA-N
XLogP1.39
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (CID 95445316) is (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine is COCc1cc(N2CCO[C@H](C(F)(F)F)C2)ncn1.
What is the InChIKey of (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The InChIKey is KTSQYBUNCRLWOI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-18-6-8-4-10(16-7-15-8)17-2-3-19-9(5-17)11(12,13)14/h4,7,9H,2-3,5-6H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
(2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 277.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95445316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).