(2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine

C9H11F2N3O — CID 169200615

IUPAC(2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine
SMILESC[C@H]1CN(c2nc(F)cc(F)n2)CCO1
InChIInChI=1S/C9H11F2N3O/c1-6-5-14(2-3-15-6)9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyQUBQFEFTQPDRPM-LURJTMIESA-N
MW215.20 g/mol
LogP0.98
Rot. Bonds1

About (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine

(2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine (PubChem CID 169200615) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine
PubChem CID169200615
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name(2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine
SMILESC[C@H]1CN(c2nc(F)cc(F)n2)CCO1
InChIInChI=1S/C9H11F2N3O/c1-6-5-14(2-3-15-6)9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyQUBQFEFTQPDRPM-LURJTMIESA-N
XLogP0.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine 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-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine?
The IUPAC name of (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine (CID 169200615) is (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine.
What is the SMILES notation for (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine?
The canonical SMILES for (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine is C[C@H]1CN(c2nc(F)cc(F)n2)CCO1.
What is the InChIKey of (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine?
The InChIKey is QUBQFEFTQPDRPM-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-6-5-14(2-3-15-6)9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine?
(2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine has a molecular weight of 215.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4,6-difluoropyrimidin-2-yl)-2-methylmorpholine is sourced from PubChem (CID 169200615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).