5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

C15H20BrN3O — CID 104806898

IUPAC5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2C)nc(CC(C)C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-5-17-14-12(16)11(8-9(2)3)18-15(19-14)13-10(4)6-7-20-13/h6-7,9H,5,8H2,1-4H3,(H,17,18,19)
InChIKeyLODLJGUJDBJETM-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.44
Rot. Bonds5

About 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 104806898) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID104806898
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2C)nc(CC(C)C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-5-17-14-12(16)11(8-9(2)3)18-15(19-14)13-10(4)6-7-20-13/h6-7,9H,5,8H2,1-4H3,(H,17,18,19)
InChIKeyLODLJGUJDBJETM-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 104806898) is 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(-c2occc2C)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is LODLJGUJDBJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-5-17-14-12(16)11(8-9(2)3)18-15(19-14)13-10(4)6-7-20-13/h6-7,9H,5,8H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 338.25 g/mol, XLogP of 4.44, 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-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 104806898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).