(2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine

C12H18FN3O — CID 164630471

IUPAC(2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine
SMILESCCc1nccc(N2CCO[C@@H](CCF)C2)n1
InChIInChI=1S/C12H18FN3O/c1-2-11-14-6-4-12(15-11)16-7-8-17-10(9-16)3-5-13/h4,6,10H,2-3,5,7-9H2,1H3/t10-/m0/s1
InChIKeyXOBMWIMKIJVPOF-JTQLQIEISA-N
MW239.29 g/mol
LogP1.60
Rot. Bonds4

About (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine

(2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine (PubChem CID 164630471) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine
PubChem CID164630471
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name(2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine
SMILESCCc1nccc(N2CCO[C@@H](CCF)C2)n1
InChIInChI=1S/C12H18FN3O/c1-2-11-14-6-4-12(15-11)16-7-8-17-10(9-16)3-5-13/h4,6,10H,2-3,5,7-9H2,1H3/t10-/m0/s1
InChIKeyXOBMWIMKIJVPOF-JTQLQIEISA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
The IUPAC name of (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine (CID 164630471) is (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine.
What is the SMILES notation for (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
The canonical SMILES for (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine is CCc1nccc(N2CCO[C@@H](CCF)C2)n1.
What is the InChIKey of (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
The InChIKey is XOBMWIMKIJVPOF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-11-14-6-4-12(15-11)16-7-8-17-10(9-16)3-5-13/h4,6,10H,2-3,5,7-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
(2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine has a molecular weight of 239.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-ethylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine is sourced from PubChem (CID 164630471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).