[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone

C17H19ClN4O2 — CID 129346071

IUPAC[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
SMILESCN(C)c1cnc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-21(2)16-10-19-14(9-20-16)17(23)22-7-8-24-15(11-22)12-3-5-13(18)6-4-12/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/m1/s1
InChIKeyPRURUEPPRNGKPH-OAHLLOKOSA-N
MW346.82 g/mol
LogP2.41
Rot. Bonds3

About [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone

[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone (PubChem CID 129346071) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
PubChem CID129346071
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
SMILESCN(C)c1cnc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-21(2)16-10-19-14(9-20-16)17(23)22-7-8-24-15(11-22)12-3-5-13(18)6-4-12/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/m1/s1
InChIKeyPRURUEPPRNGKPH-OAHLLOKOSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 86859216
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95196647
methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
CID 95217867
5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
CID 122057769
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 95215113

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone (CID 129346071) is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone is CN(C)c1cnc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone?
The InChIKey is PRURUEPPRNGKPH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-21(2)16-10-19-14(9-20-16)17(23)22-7-8-24-15(11-22)12-3-5-13(18)6-4-12/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone?
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone has a molecular weight of 346.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 129346071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).