2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine

C11H9BrFN3 — CID 66000373

IUPAC2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cccc(Br)c2)nc(N)c1F
InChIInChI=1S/C11H9BrFN3/c1-6-9(13)10(14)16-11(15-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyKRPVHUPMGLQZDB-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.94
Rot. Bonds1

About 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine

2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 66000373) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID66000373
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cccc(Br)c2)nc(N)c1F
InChIInChI=1S/C11H9BrFN3/c1-6-9(13)10(14)16-11(15-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyKRPVHUPMGLQZDB-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 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 66000373) is 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(-c2cccc(Br)c2)nc(N)c1F.
What is the InChIKey of 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is KRPVHUPMGLQZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c1-6-9(13)10(14)16-11(15-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(3-bromophenyl)-5-fluoro-6-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 2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66000373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).