2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine

C14H13N3O — CID 116897728

IUPAC2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1nccc(-c2coc3ccccc23)n1
InChIInChI=1S/C14H13N3O/c15-7-5-14-16-8-6-12(17-14)11-9-18-13-4-2-1-3-10(11)13/h1-4,6,8-9H,5,7,15H2
InChIKeyZLMKGEDSDPHACQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine

2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine (PubChem CID 116897728) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine
PubChem CID116897728
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1nccc(-c2coc3ccccc23)n1
InChIInChI=1S/C14H13N3O/c15-7-5-14-16-8-6-12(17-14)11-9-18-13-4-2-1-3-10(11)13/h1-4,6,8-9H,5,7,15H2
InChIKeyZLMKGEDSDPHACQ-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine (CID 116897728) is 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine is NCCc1nccc(-c2coc3ccccc23)n1.
What is the InChIKey of 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is ZLMKGEDSDPHACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-7-5-14-16-8-6-12(17-14)11-9-18-13-4-2-1-3-10(11)13/h1-4,6,8-9H,5,7,15H2.
What are the key properties of 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine?
2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116897728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).