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

C15H20BrN3O — CID 66298069

IUPAC5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(CC)o2)nc(NCC)c1Br
InChIInChI=1S/C15H20BrN3O/c1-4-7-11-13(16)15(17-6-3)19-14(18-11)12-9-8-10(5-2)20-12/h8-9H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyIUXRZWCHOJUQES-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.45
Rot. Bonds6

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

5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 66298069) 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-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine
PubChem CID66298069
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(CC)o2)nc(NCC)c1Br
InChIInChI=1S/C15H20BrN3O/c1-4-7-11-13(16)15(17-6-3)19-14(18-11)12-9-8-10(5-2)20-12/h8-9H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyIUXRZWCHOJUQES-UHFFFAOYSA-N
XLogP4.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.45
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-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine (CID 66298069) is 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(CC)o2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is IUXRZWCHOJUQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-7-11-13(16)15(17-6-3)19-14(18-11)12-9-8-10(5-2)20-12/h8-9H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 338.25 g/mol, XLogP of 4.45, 6 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-propylpyrimidin-4-amine is sourced from PubChem (CID 66298069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).