5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine

C11H12BrN3O — CID 66306676

IUPAC5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2)nc(C)c1Br
InChIInChI=1S/C11H12BrN3O/c1-3-13-11-9(12)7(2)14-10(15-11)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyMCCDHTBVKVRLPD-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.24
Rot. Bonds3

About 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine

5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine (PubChem CID 66306676) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
PubChem CID66306676
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2)nc(C)c1Br
InChIInChI=1S/C11H12BrN3O/c1-3-13-11-9(12)7(2)14-10(15-11)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyMCCDHTBVKVRLPD-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.24
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-(furan-3-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine (CID 66306676) is 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine is CCNc1nc(-c2ccoc2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine?
The InChIKey is MCCDHTBVKVRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-3-13-11-9(12)7(2)14-10(15-11)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine has a molecular weight of 282.14 g/mol, XLogP of 3.24, 3 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-(furan-3-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66306676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).