5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine

C14H14BrN3O — CID 66296826

IUPAC5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
SMILESCC1(C)Cc2cccc(-c3ncc(Br)c(N)n3)c2O1
InChIInChI=1S/C14H14BrN3O/c1-14(2)6-8-4-3-5-9(11(8)19-14)13-17-7-10(15)12(16)18-13/h3-5,7H,6H2,1-2H3,(H2,16,17,18)
InChIKeyPDZBYNWONDEOGV-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.20
Rot. Bonds1

About 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine

5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine (PubChem CID 66296826) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
PubChem CID66296826
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
SMILESCC1(C)Cc2cccc(-c3ncc(Br)c(N)n3)c2O1
InChIInChI=1S/C14H14BrN3O/c1-14(2)6-8-4-3-5-9(11(8)19-14)13-17-7-10(15)12(16)18-13/h3-5,7H,6H2,1-2H3,(H2,16,17,18)
InChIKeyPDZBYNWONDEOGV-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine (CID 66296826) is 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine is CC1(C)Cc2cccc(-c3ncc(Br)c(N)n3)c2O1.
What is the InChIKey of 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine?
The InChIKey is PDZBYNWONDEOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-14(2)6-8-4-3-5-9(11(8)19-14)13-17-7-10(15)12(16)18-13/h3-5,7H,6H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine?
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine has a molecular weight of 320.19 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine is sourced from PubChem (CID 66296826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).