3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine

C20H21N3O — CID 58567148

IUPAC3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine
SMILESCC(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)24-17-10-8-16(9-11-17)19-13-22-20(21)18(23-19)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,21,22)
InChIKeyVPNXISYFNCSAOW-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.10
Rot. Bonds5

About 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine

3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine (PubChem CID 58567148) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine
PubChem CID58567148
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine
SMILESCC(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)24-17-10-8-16(9-11-17)19-13-22-20(21)18(23-19)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,21,22)
InChIKeyVPNXISYFNCSAOW-UHFFFAOYSA-N
XLogP4.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
The IUPAC name of 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine (CID 58567148) is 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
The canonical SMILES for 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine is CC(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
The InChIKey is VPNXISYFNCSAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)24-17-10-8-16(9-11-17)19-13-22-20(21)18(23-19)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,21,22).
What are the key properties of 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 58567148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).