5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine

C11H9BrFN3 — CID 66304272

IUPAC5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(-c2ncc(Br)c(N)n2)ccc1F
InChIInChI=1S/C11H9BrFN3/c1-6-4-7(2-3-9(6)13)11-15-5-8(12)10(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyBWKFSJSVZBBURP-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.94
Rot. Bonds1

About 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine

5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine (PubChem CID 66304272) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
PubChem CID66304272
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(-c2ncc(Br)c(N)n2)ccc1F
InChIInChI=1S/C11H9BrFN3/c1-6-4-7(2-3-9(6)13)11-15-5-8(12)10(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyBWKFSJSVZBBURP-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 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine (CID 66304272) is 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine is Cc1cc(-c2ncc(Br)c(N)n2)ccc1F.
What is the InChIKey of 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
The InChIKey is BWKFSJSVZBBURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c1-6-4-7(2-3-9(6)13)11-15-5-8(12)10(14)16-11/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-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 5-bromo-2-(4-fluoro-3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66304272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).