[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C18H22N4O — CID 50948310

IUPAC[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(-c2cncc(C(=O)N3CCN(C)CC3)n2)c1C
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-15(14(13)2)16-11-19-12-17(20-16)18(23)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3
InChIKeyFRSCMEXZTQZUMC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds2

About [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 50948310) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID50948310
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(-c2cncc(C(=O)N3CCN(C)CC3)n2)c1C
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-15(14(13)2)16-11-19-12-17(20-16)18(23)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3
InChIKeyFRSCMEXZTQZUMC-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
CID 119060088
[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819757
(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
CID 66556102
[2-(2,3-dimethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325929
(4-methyl-1,4-diazepan-1-yl)-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110131426
[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 165420698
[6-(2,3-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345153
[6-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122558953
[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 134703286
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 121497470
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 50948310) is [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cccc(-c2cncc(C(=O)N3CCN(C)CC3)n2)c1C.
What is the InChIKey of [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FRSCMEXZTQZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-5-4-6-15(14(13)2)16-11-19-12-17(20-16)18(23)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 50948310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).