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

C16H19N3O2 — CID 80865011

IUPAC6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc3c2OC(C)(C)C3)nc(C)n1
InChIInChI=1S/C16H19N3O2/c1-10-18-13(17-4)8-14(19-10)20-12-7-5-6-11-9-16(2,3)21-15(11)12/h5-8H,9H2,1-4H3,(H,17,18,19)
InChIKeyHGSIWZZOHSHBMR-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.33
Rot. Bonds3

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

6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine (PubChem CID 80865011) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine
PubChem CID80865011
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc3c2OC(C)(C)C3)nc(C)n1
InChIInChI=1S/C16H19N3O2/c1-10-18-13(17-4)8-14(19-10)20-12-7-5-6-11-9-16(2,3)21-15(11)12/h5-8H,9H2,1-4H3,(H,17,18,19)
InChIKeyHGSIWZZOHSHBMR-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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Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,6-dimethylpyrimidin-2-amine
CID 80865860
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62297979
5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
CID 66234792
[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
CID 62298154
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-iodopyrimidine
CID 113459432
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
CID 16789396
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbenzaldehyde
CID 63534294
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 167950195
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methylbenzaldehyde
CID 63534295
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
CID 63677792
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine (CID 80865011) is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine is CNc1cc(Oc2cccc3c2OC(C)(C)C3)nc(C)n1.
What is the InChIKey of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is HGSIWZZOHSHBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-18-13(17-4)8-14(19-10)20-12-7-5-6-11-9-16(2,3)21-15(11)12/h5-8H,9H2,1-4H3,(H,17,18,19).
What are the key properties of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine?
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-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 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80865011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).