4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine

C16H19N3O2 — CID 80865860

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C16H19N3O2/c1-10-8-13(19-15(17-4)18-10)20-12-7-5-6-11-9-16(2,3)21-14(11)12/h5-8H,9H2,1-4H3,(H,17,18,19)
InChIKeyUWOWMCGQNYZLEY-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.33
Rot. Bonds3

About 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine (PubChem CID 80865860) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine
PubChem CID80865860
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C16H19N3O2/c1-10-8-13(19-15(17-4)18-10)20-12-7-5-6-11-9-16(2,3)21-14(11)12/h5-8H,9H2,1-4H3,(H,17,18,19)
InChIKeyUWOWMCGQNYZLEY-UHFFFAOYSA-N
XLogP3.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine (CID 80865860) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Oc2cccc3c2OC(C)(C)C3)n1.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is UWOWMCGQNYZLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-13(19-15(17-4)18-10)20-12-7-5-6-11-9-16(2,3)21-14(11)12/h5-8H,9H2,1-4H3,(H,17,18,19).
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80865860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).