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

C14H23N3O — CID 129258390

IUPAC(2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cnc(C(C)(C)C)cn2)C[C@H](C)O1
InChIInChI=1S/C14H23N3O/c1-10-8-17(9-11(2)18-10)13-7-15-12(6-16-13)14(3,4)5/h6-7,10-11H,8-9H2,1-5H3/t10-,11+
InChIKeySCXINXIGMQXLBP-PHIMTYICSA-N
MW249.36 g/mol
LogP2.39
Rot. Bonds1

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

(2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine (PubChem CID 129258390) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine
PubChem CID129258390
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cnc(C(C)(C)C)cn2)C[C@H](C)O1
InChIInChI=1S/C14H23N3O/c1-10-8-17(9-11(2)18-10)13-7-15-12(6-16-13)14(3,4)5/h6-7,10-11H,8-9H2,1-5H3/t10-,11+
InChIKeySCXINXIGMQXLBP-PHIMTYICSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine (CID 129258390) is (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2cnc(C(C)(C)C)cn2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine?
The InChIKey is SCXINXIGMQXLBP-PHIMTYICSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-8-17(9-11(2)18-10)13-7-15-12(6-16-13)14(3,4)5/h6-7,10-11H,8-9H2,1-5H3/t10-,11+.
What are the key properties of (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine?
(2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine has a molecular weight of 249.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 129258390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).