2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine

C18H23N3O — CID 56707534

IUPAC2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine
SMILESCc1cc(CN2CCCC2)cc(Oc2nc(C)cnc2C)c1
InChIInChI=1S/C18H23N3O/c1-13-8-16(12-21-6-4-5-7-21)10-17(9-13)22-18-15(3)19-11-14(2)20-18/h8-11H,4-7,12H2,1-3H3
InChIKeyFMSFVXWYKSLAIN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.79
Rot. Bonds4

About 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine

2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine (PubChem CID 56707534) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine
PubChem CID56707534
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine
SMILESCc1cc(CN2CCCC2)cc(Oc2nc(C)cnc2C)c1
InChIInChI=1S/C18H23N3O/c1-13-8-16(12-21-6-4-5-7-21)10-17(9-13)22-18-15(3)19-11-14(2)20-18/h8-11H,4-7,12H2,1-3H3
InChIKeyFMSFVXWYKSLAIN-UHFFFAOYSA-N
XLogP3.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-5-(2-pyrrolidin-1-yl-ethoxy)-pyridine
CID 10850487
N,N,N-trimethyl-2-(6-phenethylpyridin-3-yloxy)ethanaminium
CID 44414660
N,N,N-trimethyl-2-(6-styrylpyridin-3-yloxy)ethanaminium
CID 44414669
5-Isobutyl-3-methyl-2-phenoxypyrazine
CID 528137
4-[(6-Methylpyrazin-2-yl)oxy]benzylamine
CID 24229693
N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine
CID 24229697
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
N,N-dimethyl-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]ethanamine
CID 44414753
N,N-dimethyl-2-[[6-(2-phenylethyl)-3-pyridinyl]oxy]ethanamine
CID 44414766
3-[2,4-Dichloro-3-(pyrrolidin-1-ylmethyl)phenoxy]-2,5-dimethylpyrazine
CID 56701334
2-[3-Methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 56708409
N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 71970309

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine (CID 56707534) is 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine is Cc1cc(CN2CCCC2)cc(Oc2nc(C)cnc2C)c1.
What is the InChIKey of 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine?
The InChIKey is FMSFVXWYKSLAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-8-16(12-21-6-4-5-7-21)10-17(9-13)22-18-15(3)19-11-14(2)20-18/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine?
2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine has a molecular weight of 297.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine is sourced from PubChem (CID 56707534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).