N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine

C16H17N3O2 — CID 133291938

IUPACN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
SMILESCOc1ccc2oc(C(C)Nc3cnccn3)c(C)c2c1
InChIInChI=1S/C16H17N3O2/c1-10-13-8-12(20-3)4-5-14(13)21-16(10)11(2)19-15-9-17-6-7-18-15/h4-9,11H,1-3H3,(H,18,19)
InChIKeyMELRULKPQXTDES-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine (PubChem CID 133291938) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
PubChem CID133291938
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
SMILESCOc1ccc2oc(C(C)Nc3cnccn3)c(C)c2c1
InChIInChI=1S/C16H17N3O2/c1-10-13-8-12(20-3)4-5-14(13)21-16(10)11(2)19-15-9-17-6-7-18-15/h4-9,11H,1-3H3,(H,18,19)
InChIKeyMELRULKPQXTDES-UHFFFAOYSA-N
XLogP3.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine?
The IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine (CID 133291938) is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine is COc1ccc2oc(C(C)Nc3cnccn3)c(C)c2c1.
What is the InChIKey of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine?
The InChIKey is MELRULKPQXTDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-13-8-12(20-3)4-5-14(13)21-16(10)11(2)19-15-9-17-6-7-18-15/h4-9,11H,1-3H3,(H,18,19).
What are the key properties of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine?
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133291938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).