[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone

C14H17N5O2 — CID 124988619

IUPAC[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1
InChIInChI=1S/C14H17N5O2/c1-10-8-18(2)13(17-10)12-9-19(5-6-21-12)14(20)11-7-15-3-4-16-11/h3-4,7-8,12H,5-6,9H2,1-2H3/t12-/m0/s1
InChIKeyOOBHEMKHUJPCNT-LBPRGKRZSA-N
MW287.32 g/mol
LogP0.73
Rot. Bonds2

About [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone

[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone (PubChem CID 124988619) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
PubChem CID124988619
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1
InChIInChI=1S/C14H17N5O2/c1-10-8-18(2)13(17-10)12-9-19(5-6-21-12)14(20)11-7-15-3-4-16-11/h3-4,7-8,12H,5-6,9H2,1-2H3/t12-/m0/s1
InChIKeyOOBHEMKHUJPCNT-LBPRGKRZSA-N
XLogP0.73
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95847596
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 125013448
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 110271985
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone (CID 124988619) is [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone is Cc1cn(C)c([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1.
What is the InChIKey of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is OOBHEMKHUJPCNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-8-18(2)13(17-10)12-9-19(5-6-21-12)14(20)11-7-15-3-4-16-11/h3-4,7-8,12H,5-6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone?
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 287.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 124988619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).