1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine

C13H13N3O — CID 83850107

IUPAC1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
SMILESCc1nc(C(C)N)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-7(14)11-13-12(16-8(2)15-11)9-5-3-4-6-10(9)17-13/h3-7H,14H2,1-2H3
InChIKeyJGMLUCBEKNOFAS-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.70
Rot. Bonds1

About 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine

1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine (PubChem CID 83850107) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
PubChem CID83850107
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
SMILESCc1nc(C(C)N)c2oc3ccccc3c2n1
InChIInChI=1S/C13H13N3O/c1-7(14)11-13-12(16-8(2)15-11)9-5-3-4-6-10(9)17-13/h3-7H,14H2,1-2H3
InChIKeyJGMLUCBEKNOFAS-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine?
The IUPAC name of 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine (CID 83850107) is 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine is Cc1nc(C(C)N)c2oc3ccccc3c2n1.
What is the InChIKey of 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine?
The InChIKey is JGMLUCBEKNOFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-7(14)11-13-12(16-8(2)15-11)9-5-3-4-6-10(9)17-13/h3-7H,14H2,1-2H3.
What are the key properties of 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine?
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine has a molecular weight of 227.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83850107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).