6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine

C15H17N3O — CID 114747278

IUPAC6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-c1cccc2c1OCC2
InChIInChI=1S/C15H17N3O/c1-9(2)12-13(17-8-18-15(12)16)11-5-3-4-10-6-7-19-14(10)11/h3-5,8-9H,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyWXYZIZUVCVODGS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.78
Rot. Bonds2

About 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine

6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 114747278) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID114747278
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-c1cccc2c1OCC2
InChIInChI=1S/C15H17N3O/c1-9(2)12-13(17-8-18-15(12)16)11-5-3-4-10-6-7-19-14(10)11/h3-5,8-9H,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyWXYZIZUVCVODGS-UHFFFAOYSA-N
XLogP2.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine (CID 114747278) is 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1-c1cccc2c1OCC2.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is WXYZIZUVCVODGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9(2)12-13(17-8-18-15(12)16)11-5-3-4-10-6-7-19-14(10)11/h3-5,8-9H,6-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114747278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).