4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine

C11H8BrClFN3 — CID 106763727

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(Br)c(Cl)c2F)nc(N)n1
InChIInChI=1S/C11H8BrClFN3/c1-5-4-8(17-11(15)16-5)6-2-3-7(12)9(13)10(6)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyZFFQXOFSAHQTKO-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.59
Rot. Bonds1

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

4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 106763727) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
PubChem CID106763727
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc(Br)c(Cl)c2F)nc(N)n1
InChIInChI=1S/C11H8BrClFN3/c1-5-4-8(17-11(15)16-5)6-2-3-7(12)9(13)10(6)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyZFFQXOFSAHQTKO-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine
CID 106763568
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 39796773
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 106763594
4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106763689
2-(4-bromo-3-chloro-2-fluorophenyl)aniline
CID 106763141
[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
CID 106763212
4-(2-amino-6-methylpyrimidin-4-yl)-3-chlorobenzonitrile
CID 126962324
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
4-methyl-6-(2-methylthiophen-3-yl)pyrimidin-2-amine
CID 102838422
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 106763638

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine (CID 106763727) is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(-c2ccc(Br)c(Cl)c2F)nc(N)n1.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is ZFFQXOFSAHQTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c1-5-4-8(17-11(15)16-5)6-2-3-7(12)9(13)10(6)14/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine?
4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine has a molecular weight of 316.56 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 106763727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).