3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine

C18H23N3O — CID 58567146

IUPAC3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(CC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N3O/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/h7-10,12-13H,2-6,11H2,1H3,(H2,19,20)
InChIKeySEISJOXHWSAAOI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.86
Rot. Bonds4

About 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine

3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine (PubChem CID 58567146) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine
PubChem CID58567146
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(CC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N3O/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/h7-10,12-13H,2-6,11H2,1H3,(H2,19,20)
InChIKeySEISJOXHWSAAOI-UHFFFAOYSA-N
XLogP3.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine?
The IUPAC name of 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine (CID 58567146) is 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine is COc1ccc(-c2cnc(N)c(CC3CCCCC3)n2)cc1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine?
The InChIKey is SEISJOXHWSAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/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/h7-10,12-13H,2-6,11H2,1H3,(H2,19,20).
What are the key properties of 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine?
3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 58567146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).