2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine

C15H15N3O — CID 175860521

IUPAC2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc3occ(C)c3c2)n1
InChIInChI=1S/C15H15N3O/c1-3-15-17-12(7-14(16)18-15)10-4-5-13-11(6-10)9(2)8-19-13/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGLDJXKJIQNSAEM-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.34
Rot. Bonds2

About 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine

2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine (PubChem CID 175860521) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
PubChem CID175860521
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc3occ(C)c3c2)n1
InChIInChI=1S/C15H15N3O/c1-3-15-17-12(7-14(16)18-15)10-4-5-13-11(6-10)9(2)8-19-13/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGLDJXKJIQNSAEM-UHFFFAOYSA-N
XLogP3.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine (CID 175860521) is 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine is CCc1nc(N)cc(-c2ccc3occ(C)c3c2)n1.
What is the InChIKey of 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine?
The InChIKey is GLDJXKJIQNSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-15-17-12(7-14(16)18-15)10-4-5-13-11(6-10)9(2)8-19-13/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine?
2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine has a molecular weight of 253.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 175860521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).