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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
2-[2-(3-chloro-4-fluorophenyl)-4,6-diethylpyrimidin-5-yl]ethanamine
CID 79220557
3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
CID 66296362
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738485
5-bromo-2-(7-chloro-1,3-benzodioxol-5-yl)-6-ethylpyrimidin-4-amine
CID 66296558
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299688
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
CID 66304664
[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 55181402

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).