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

C11H9BrFN3 — CID 63873849

IUPAC5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(Br)cn2)c(F)c1
InChIInChI=1S/C11H9BrFN3/c1-7-2-3-10(9(13)4-7)16-11-14-5-8(12)6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeySVLYDYKHRNDNJH-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.43
Rot. Bonds2

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

5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine (PubChem CID 63873849) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine
PubChem CID63873849
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(Br)cn2)c(F)c1
InChIInChI=1S/C11H9BrFN3/c1-7-2-3-10(9(13)4-7)16-11-14-5-8(12)6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeySVLYDYKHRNDNJH-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine (CID 63873849) is 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine is Cc1ccc(Nc2ncc(Br)cn2)c(F)c1.
What is the InChIKey of 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine?
The InChIKey is SVLYDYKHRNDNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c1-7-2-3-10(9(13)4-7)16-11-14-5-8(12)6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine?
5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine has a molecular weight of 282.12 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 63873849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).