(2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine

C12H16F3N3O — CID 95525002

IUPAC(2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCCc1nc(N2CCO[C@H](C(F)(F)F)C2)ncc1C
InChIInChI=1S/C12H16F3N3O/c1-3-9-8(2)6-16-11(17-9)18-4-5-19-10(7-18)12(13,14)15/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyKCGDIWJQCXAWIT-JTQLQIEISA-N
MW275.27 g/mol
LogP2.11
Rot. Bonds2

About (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine

(2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 95525002) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID95525002
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCCc1nc(N2CCO[C@H](C(F)(F)F)C2)ncc1C
InChIInChI=1S/C12H16F3N3O/c1-3-9-8(2)6-16-11(17-9)18-4-5-19-10(7-18)12(13,14)15/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyKCGDIWJQCXAWIT-JTQLQIEISA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine (CID 95525002) is (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine is CCc1nc(N2CCO[C@H](C(F)(F)F)C2)ncc1C.
What is the InChIKey of (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is KCGDIWJQCXAWIT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-9-8(2)6-16-11(17-9)18-4-5-19-10(7-18)12(13,14)15/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
(2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 275.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95525002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).