[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C14H15N3O — CID 56715765

IUPAC[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1nccc(-c2cccc3c2OC(CN)C3)n1
InChIInChI=1S/C14H15N3O/c1-9-16-6-5-13(17-9)12-4-2-3-10-7-11(8-15)18-14(10)12/h2-6,11H,7-8,15H2,1H3
InChIKeyOEJORRQMSWVYKK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.71
Rot. Bonds2

About [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56715765) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56715765
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1nccc(-c2cccc3c2OC(CN)C3)n1
InChIInChI=1S/C14H15N3O/c1-9-16-6-5-13(17-9)12-4-2-3-10-7-11(8-15)18-14(10)12/h2-6,11H,7-8,15H2,1H3
InChIKeyOEJORRQMSWVYKK-UHFFFAOYSA-N
XLogP1.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118760389
(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile
CID 56701420
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
[(2S)-5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125168273
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 56702922

Frequently Asked Questions

What is the IUPAC name of [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56715765) is [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1nccc(-c2cccc3c2OC(CN)C3)n1.
What is the InChIKey of [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is OEJORRQMSWVYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-16-6-5-13(17-9)12-4-2-3-10-7-11(8-15)18-14(10)12/h2-6,11H,7-8,15H2,1H3.
What are the key properties of [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 241.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56715765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).