5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine

C12H10BrClFN3 — CID 66300010

IUPAC5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(F)c(Cl)c2)nc(N)c1Br
InChIInChI=1S/C12H10BrClFN3/c1-2-9-10(13)11(16)18-12(17-9)6-3-4-8(15)7(14)5-6/h3-5H,2H2,1H3,(H2,16,17,18)
InChIKeyDKMCWJVHWGBJHG-UHFFFAOYSA-N
MW330.59 g/mol
LogP3.84
Rot. Bonds2

About 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine

5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine (PubChem CID 66300010) has the molecular formula C12H10BrClFN3 and a molecular weight of 330.59 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
PubChem CID66300010
Molecular FormulaC12H10BrClFN3
Molecular Weight330.59 g/mol
Exact Mass328.97
IUPAC Name5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(F)c(Cl)c2)nc(N)c1Br
InChIInChI=1S/C12H10BrClFN3/c1-2-9-10(13)11(16)18-12(17-9)6-3-4-8(15)7(14)5-6/h3-5H,2H2,1H3,(H2,16,17,18)
InChIKeyDKMCWJVHWGBJHG-UHFFFAOYSA-N
XLogP3.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine (CID 66300010) is 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine is CCc1nc(-c2ccc(F)c(Cl)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine?
The InChIKey is DKMCWJVHWGBJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3/c1-2-9-10(13)11(16)18-12(17-9)6-3-4-8(15)7(14)5-6/h3-5H,2H2,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine?
5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine has a molecular weight of 330.59 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 66300010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).