4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine

C13H11N3O2 — CID 1480563

IUPAC4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine
SMILESCOc1cccc2cc(-c3ccnc(N)n3)oc12
InChIInChI=1S/C13H11N3O2/c1-17-10-4-2-3-8-7-11(18-12(8)10)9-5-6-15-13(14)16-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyRSZAYWALYOLGAU-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.48
Rot. Bonds2

About 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine

4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine (PubChem CID 1480563) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine
PubChem CID1480563
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine
SMILESCOc1cccc2cc(-c3ccnc(N)n3)oc12
InChIInChI=1S/C13H11N3O2/c1-17-10-4-2-3-8-7-11(18-12(8)10)9-5-6-15-13(14)16-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyRSZAYWALYOLGAU-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine (CID 1480563) is 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine is COc1cccc2cc(-c3ccnc(N)n3)oc12.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine?
The InChIKey is RSZAYWALYOLGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-10-4-2-3-8-7-11(18-12(8)10)9-5-6-15-13(14)16-9/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine?
4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine has a molecular weight of 241.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 1480563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).