[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C13H13N3O — CID 95388290

IUPAC[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cccc(-c3ncccn3)c2O1
InChIInChI=1S/C13H13N3O/c14-8-10-7-9-3-1-4-11(12(9)17-10)13-15-5-2-6-16-13/h1-6,10H,7-8,14H2/t10-/m0/s1
InChIKeyUFEPIIJCKIXSHS-JTQLQIEISA-N
MW227.27 g/mol
LogP1.41
Rot. Bonds2

About [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95388290) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95388290
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cccc(-c3ncccn3)c2O1
InChIInChI=1S/C13H13N3O/c14-8-10-7-9-3-1-4-11(12(9)17-10)13-15-5-2-6-16-13/h1-6,10H,7-8,14H2/t10-/m0/s1
InChIKeyUFEPIIJCKIXSHS-JTQLQIEISA-N
XLogP1.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980
[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118760389
[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-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56715765
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 56702922
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
CID 45207708
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56716314

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95388290) is [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1.
What is the InChIKey of [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is UFEPIIJCKIXSHS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13N3O/c14-8-10-7-9-3-1-4-11(12(9)17-10)13-15-5-2-6-16-13/h1-6,10H,7-8,14H2/t10-/m0/s1.
What are the key properties of [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 227.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95388290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).