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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Related Compounds

4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
CID 71581423
4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-amine
CID 11163942
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyrimidin-2-yl-amine
CID 11544316
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11603022
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyrimidin-5-yl-amine
CID 11709569
5-Benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 44423534
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688

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).