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

C12H9BrCl2FN3 — CID 107614914

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H9BrCl2FN3/c1-5-11(15)17-6(2)18-12(5)19-10-8(13)3-7(16)4-9(10)14/h3-4H,1-2H3,(H,17,18,19)
InChIKeySORYDHUPPOGUPN-UHFFFAOYSA-N
MW365.03 g/mol
LogP5.05
Rot. Bonds2

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

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine (PubChem CID 107614914) has the molecular formula C12H9BrCl2FN3 and a molecular weight of 365.03 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
PubChem CID107614914
Molecular FormulaC12H9BrCl2FN3
Molecular Weight365.03 g/mol
Exact Mass362.93
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H9BrCl2FN3/c1-5-11(15)17-6(2)18-12(5)19-10-8(13)3-7(16)4-9(10)14/h3-4H,1-2H3,(H,17,18,19)
InChIKeySORYDHUPPOGUPN-UHFFFAOYSA-N
XLogP5.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.03
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine (CID 107614914) is N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(Nc2c(Cl)cc(F)cc2Br)n1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine?
The InChIKey is SORYDHUPPOGUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2FN3/c1-5-11(15)17-6(2)18-12(5)19-10-8(13)3-7(16)4-9(10)14/h3-4H,1-2H3,(H,17,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine has a molecular weight of 365.03 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 107614914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).