2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine

C13H13BrFN3 — CID 66426085

IUPAC2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(F)cc(Br)c2)nc(N)c1C
InChIInChI=1S/C13H13BrFN3/c1-3-11-7(2)12(16)18-13(17-11)8-4-9(14)6-10(15)5-8/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGKHKDYWRYQOAIZ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.50
Rot. Bonds2

About 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine

2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 66426085) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID66426085
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(F)cc(Br)c2)nc(N)c1C
InChIInChI=1S/C13H13BrFN3/c1-3-11-7(2)12(16)18-13(17-11)8-4-9(14)6-10(15)5-8/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGKHKDYWRYQOAIZ-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66423699
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 63560815
2-(3,5-difluorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63562473
ethyl 2-(3-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 102972874
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
CID 66426213
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66423893
2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66423101
6-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-iodopyrimidin-4-amine
CID 115350514
6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine
CID 106849539
6-ethyl-5-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 63560551

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine (CID 66426085) is 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine is CCc1nc(-c2cc(F)cc(Br)c2)nc(N)c1C.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is GKHKDYWRYQOAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-3-11-7(2)12(16)18-13(17-11)8-4-9(14)6-10(15)5-8/h4-6H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine?
2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 310.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66426085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).