(2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine

C12H19N3O — CID 59545914

IUPAC(2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine
SMILESCCc1cnc(N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C12H19N3O/c1-4-11-5-14-12(6-13-11)15-7-9(2)16-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyQUNPWTBTBCBKPZ-AOOOYVTPSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds2

About (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine (PubChem CID 59545914) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine
PubChem CID59545914
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine
SMILESCCc1cnc(N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C12H19N3O/c1-4-11-5-14-12(6-13-11)15-7-9(2)16-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyQUNPWTBTBCBKPZ-AOOOYVTPSA-N
XLogP1.65
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine (CID 59545914) is (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine is CCc1cnc(N2C[C@@H](C)O[C@@H](C)C2)cn1.
What is the InChIKey of (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine?
The InChIKey is QUNPWTBTBCBKPZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-11-5-14-12(6-13-11)15-7-9(2)16-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+.
What are the key properties of (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine has a molecular weight of 221.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(5-ethylpyrazin-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59545914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).