6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine

C11H9BrFN3 — CID 79742709

IUPAC6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C11H9BrFN3/c1-6-15-10(5-11(14)16-6)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyIENPSTZRQCFMSI-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.94
Rot. Bonds1

About 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine

6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine (PubChem CID 79742709) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
PubChem CID79742709
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C11H9BrFN3/c1-6-15-10(5-11(14)16-6)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyIENPSTZRQCFMSI-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine (CID 79742709) is 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is IENPSTZRQCFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c1-6-15-10(5-11(14)16-6)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine?
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 282.12 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 79742709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).