2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine

C12H11BrFN3 — CID 114016371

IUPAC2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2cc(F)ccc2Br)nc(N)c1C
InChIInChI=1S/C12H11BrFN3/c1-6-7(2)16-12(17-11(6)15)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyDUFPNFWXYSXDFN-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.24
Rot. Bonds1

About 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine

2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 114016371) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID114016371
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2cc(F)ccc2Br)nc(N)c1C
InChIInChI=1S/C12H11BrFN3/c1-6-7(2)16-12(17-11(6)15)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyDUFPNFWXYSXDFN-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-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

2-(5-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 55067572
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 107924005
5-bromo-2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
CID 66303833
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 107924057
2-(2-bromo-5-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 107923936
2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946
2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
CID 107924240

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine (CID 114016371) is 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine is Cc1nc(-c2cc(F)ccc2Br)nc(N)c1C.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is DUFPNFWXYSXDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-6-7(2)16-12(17-11(6)15)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H2,15,16,17).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine?
2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 296.14 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 114016371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).