6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

C13H13N3O2 — CID 63097070

IUPAC6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCc3ncccn3)ccc21
InChIInChI=1S/C13H13N3O2/c14-11-7-18-12-6-9(2-3-10(11)12)17-8-13-15-4-1-5-16-13/h1-6,11H,7-8,14H2
InChIKeyLSOJEZCECBXIHN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.45
Rot. Bonds3

About 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63097070) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63097070
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCc3ncccn3)ccc21
InChIInChI=1S/C13H13N3O2/c14-11-7-18-12-6-9(2-3-10(11)12)17-8-13-15-4-1-5-16-13/h1-6,11H,7-8,14H2
InChIKeyLSOJEZCECBXIHN-UHFFFAOYSA-N
XLogP1.45
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107041423
6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096549
2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
6-[(4-bromothiophen-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095837
6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63097431
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095491
6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 114527225
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
6-(3-methylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63190974
6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096895
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097077
6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096189

Frequently Asked Questions

What is the IUPAC name of 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 63097070) is 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is NC1COc2cc(OCc3ncccn3)ccc21.
What is the InChIKey of 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LSOJEZCECBXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11-7-18-12-6-9(2-3-10(11)12)17-8-13-15-4-1-5-16-13/h1-6,11H,7-8,14H2.
What are the key properties of 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 243.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63097070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).