4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C11H7BrF3N3 — CID 727196

IUPAC4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3N3/c12-7-3-1-6(2-4-7)8-5-9(11(13,14)15)18-10(16)17-8/h1-5H,(H2,16,17,18)
InChIKeyKJXMTKNZTBVNTC-UHFFFAOYSA-N
MW318.10 g/mol
LogP3.51
Rot. Bonds1

About 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 727196) has the molecular formula C11H7BrF3N3 and a molecular weight of 318.10 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID727196
Molecular FormulaC11H7BrF3N3
Molecular Weight318.10 g/mol
Exact Mass316.98
IUPAC Name4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF3N3/c12-7-3-1-6(2-4-7)8-5-9(11(13,14)15)18-10(16)17-8/h1-5H,(H2,16,17,18)
InChIKeyKJXMTKNZTBVNTC-UHFFFAOYSA-N
XLogP3.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.10
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 727196) is 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KJXMTKNZTBVNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3/c12-7-3-1-6(2-4-7)8-5-9(11(13,14)15)18-10(16)17-8/h1-5H,(H2,16,17,18).
What are the key properties of 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 318.10 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 727196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).