5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine

C15H20BrN3O — CID 66296402

IUPAC5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)o2)nc(C(C)C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-5-10-7-8-11(20-10)14-18-13(9(3)4)12(16)15(19-14)17-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyBSCUPYCWBVKWSB-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.62
Rot. Bonds5

About 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66296402) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66296402
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)o2)nc(C(C)C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-5-10-7-8-11(20-10)14-18-13(9(3)4)12(16)15(19-14)17-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyBSCUPYCWBVKWSB-UHFFFAOYSA-N
XLogP4.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine (CID 66296402) is 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccc(CC)o2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BSCUPYCWBVKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-5-10-7-8-11(20-10)14-18-13(9(3)4)12(16)15(19-14)17-6-2/h7-9H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 338.25 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66296402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).