3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane

C20H23N3O — CID 153387650

IUPAC3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
SMILESCC.COc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O.C2H6/c1-22-15-9-7-14(8-10-15)17-12-20-18(19)16(21-17)11-13-5-3-2-4-6-13;1-2/h2-10,12H,11H2,1H3,(H2,19,20);1-2H3
InChIKeyVTOVNOMHVLIEOG-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.35
Rot. Bonds4

About 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane

3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane (PubChem CID 153387650) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane.

Molecular Properties

Compound Name3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
PubChem CID153387650
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
SMILESCC.COc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O.C2H6/c1-22-15-9-7-14(8-10-15)17-12-20-18(19)16(21-17)11-13-5-3-2-4-6-13;1-2/h2-10,12H,11H2,1H3,(H2,19,20);1-2H3
InChIKeyVTOVNOMHVLIEOG-UHFFFAOYSA-N
XLogP4.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine
CID 58567148
3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine
CID 155887577
3-benzyl-5-(4-methoxyphenyl)-2-methylpyrazine
CID 70899886
3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine
CID 11486146
4-[4-(5-amino-6-benzylpyrazin-2-yl)phenoxy]butanoic acid
CID 174458677
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 10568339
3-benzyl-5-(4-nitrophenyl)pyrazin-2-amine
CID 177417276
3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 58567146
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
CID 170459078
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane?
The IUPAC name of 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane (CID 153387650) is 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane.
What is the SMILES notation for 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane?
The canonical SMILES for 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane is CC.COc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane?
The InChIKey is VTOVNOMHVLIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.C2H6/c1-22-15-9-7-14(8-10-15)17-12-20-18(19)16(21-17)11-13-5-3-2-4-6-13;1-2/h2-10,12H,11H2,1H3,(H2,19,20);1-2H3.
What are the key properties of 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane?
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane has a molecular weight of 321.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane is sourced from PubChem (CID 153387650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).