(2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine

C10H13F2N3O — CID 169200973

IUPAC(2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(F)cc(F)n2)C[C@H](C)O1
InChIInChI=1S/C10H13F2N3O/c1-6-4-15(5-7(2)16-6)10-13-8(11)3-9(12)14-10/h3,6-7H,4-5H2,1-2H3/t6-,7+
InChIKeyQTIARLGFVZPQPG-KNVOCYPGSA-N
MW229.23 g/mol
LogP1.37
Rot. Bonds1

About (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine (PubChem CID 169200973) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine
PubChem CID169200973
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(F)cc(F)n2)C[C@H](C)O1
InChIInChI=1S/C10H13F2N3O/c1-6-4-15(5-7(2)16-6)10-13-8(11)3-9(12)14-10/h3,6-7H,4-5H2,1-2H3/t6-,7+
InChIKeyQTIARLGFVZPQPG-KNVOCYPGSA-N
XLogP1.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine (CID 169200973) is (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2nc(F)cc(F)n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine?
The InChIKey is QTIARLGFVZPQPG-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-6-4-15(5-7(2)16-6)10-13-8(11)3-9(12)14-10/h3,6-7H,4-5H2,1-2H3/t6-,7+.
What are the key properties of (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine has a molecular weight of 229.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(4,6-difluoropyrimidin-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 169200973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).