(2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine

C15H20N4O — CID 141223509

IUPAC(2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2ccc(-c3cncn3C)cn2)C[C@H](C)O1
InChIInChI=1S/C15H20N4O/c1-11-8-19(9-12(2)20-11)15-5-4-13(6-17-15)14-7-16-10-18(14)3/h4-7,10-12H,8-9H2,1-3H3/t11-,12+
InChIKeyHEZXWNLTKCQHGL-TXEJJXNPSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds2

About (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine

(2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine (PubChem CID 141223509) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine
PubChem CID141223509
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2ccc(-c3cncn3C)cn2)C[C@H](C)O1
InChIInChI=1S/C15H20N4O/c1-11-8-19(9-12(2)20-11)15-5-4-13(6-17-15)14-7-16-10-18(14)3/h4-7,10-12H,8-9H2,1-3H3/t11-,12+
InChIKeyHEZXWNLTKCQHGL-TXEJJXNPSA-N
XLogP2.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine (CID 141223509) is (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine is C[C@@H]1CN(c2ccc(-c3cncn3C)cn2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine?
The InChIKey is HEZXWNLTKCQHGL-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-19(9-12(2)20-11)15-5-4-13(6-17-15)14-7-16-10-18(14)3/h4-7,10-12H,8-9H2,1-3H3/t11-,12+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[5-(3-methylimidazol-4-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 141223509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).