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

C14H15N3O — CID 116795323

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine
SMILESCC1(C)Cc2cc(-c3nccc(N)n3)ccc2O1
InChIInChI=1S/C14H15N3O/c1-14(2)8-10-7-9(3-4-11(10)18-14)13-16-6-5-12(15)17-13/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyDFGMSZRZBKMKJI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.44
Rot. Bonds1

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

2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine (PubChem CID 116795323) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine
PubChem CID116795323
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine
SMILESCC1(C)Cc2cc(-c3nccc(N)n3)ccc2O1
InChIInChI=1S/C14H15N3O/c1-14(2)8-10-7-9(3-4-11(10)18-14)13-16-6-5-12(15)17-13/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyDFGMSZRZBKMKJI-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine (CID 116795323) is 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine is CC1(C)Cc2cc(-c3nccc(N)n3)ccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine?
The InChIKey is DFGMSZRZBKMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)8-10-7-9(3-4-11(10)18-14)13-16-6-5-12(15)17-13/h3-7H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine?
2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine has a molecular weight of 241.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 116795323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).