2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine

C14H15N3O2 — CID 67958523

IUPAC2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine
SMILESCC1(C)COc2cccc(Oc3ncc(N)cn3)c21
InChIInChI=1S/C14H15N3O2/c1-14(2)8-18-10-4-3-5-11(12(10)14)19-13-16-6-9(15)7-17-13/h3-7H,8,15H2,1-2H3
InChIKeySJKYKVIXWMWUMO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.52
Rot. Bonds2

About 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine

2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine (PubChem CID 67958523) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine
PubChem CID67958523
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine
SMILESCC1(C)COc2cccc(Oc3ncc(N)cn3)c21
InChIInChI=1S/C14H15N3O2/c1-14(2)8-18-10-4-3-5-11(12(10)14)19-13-16-6-9(15)7-17-13/h3-7H,8,15H2,1-2H3
InChIKeySJKYKVIXWMWUMO-UHFFFAOYSA-N
XLogP2.52
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine?
The IUPAC name of 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine (CID 67958523) is 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine?
The canonical SMILES for 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine is CC1(C)COc2cccc(Oc3ncc(N)cn3)c21.
What is the InChIKey of 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine?
The InChIKey is SJKYKVIXWMWUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(2)8-18-10-4-3-5-11(12(10)14)19-13-16-6-9(15)7-17-13/h3-7H,8,15H2,1-2H3.
What are the key properties of 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine?
2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine has a molecular weight of 257.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine is sourced from PubChem (CID 67958523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).