5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C48H34Br2Cl6F3N17 — CID 160789310

About 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 160789310) has the molecular formula C48H34Br2Cl6F3N17 and a molecular weight of 1278.44 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 160789310
• Molecular Formula: C48H34Br2Cl6F3N17
• Molecular Weight: 1278.44 g/mol
• Exact Mass: 1272.96
• IUPAC Name: 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.NNc1nc(N)nc(-c2ccc(Cl)cc2)c1Br.Nc1nc(Cl)c(Br)c(-c2ccc(Cl)cc2)n1.Nc1nc(Cl)cc(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C18H12ClF3N6.C10H6BrCl2N3.C10H9BrClN5.C10H7Cl2N3/c1-9-6-11(7-13(25-9)18(20,21)22)14-15(10-2-4-12(19)5-3-10)26-17(23)28-8-24-27-16(14)28;11-7-8(15-10(14)16-9(7)13)5-1-3-6(12)4-2-5;11-7-8(5-1-3-6(12)4-2-5)15-10(13)16-9(7)17-14;11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h2-8H,1H3,(H2,23,26);1-4H,(H2,14,15,16);1-4H,14H2,(H3,13,15,16,17);1-5H,(H2,13,14,15)
• InChIKey: SBQAKULIEMBAOD-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 275.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1278.44
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The IUPAC name of 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 160789310) is 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

What is the SMILES notation for 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The canonical SMILES for 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3cnnc23)cc(C(F)(F)F)n1.NNc1nc(N)nc(-c2ccc(Cl)cc2)c1Br.Nc1nc(Cl)c(Br)c(-c2ccc(Cl)cc2)n1.Nc1nc(Cl)cc(-c2ccc(Cl)cc2)n1.

What is the InChIKey of 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The InChIKey is SBQAKULIEMBAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N6.C10H6BrCl2N3.C10H9BrClN5.C10H7Cl2N3/c1-9-6-11(7-13(25-9)18(20,21)22)14-15(10-2-4-12(19)5-3-10)26-17(23)28-8-24-27-16(14)28;11-7-8(15-10(14)16-9(7)13)5-1-3-6(12)4-2-5;11-7-8(5-1-3-6(12)4-2-5)15-10(13)16-9(7)17-14;11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h2-8H,1H3,(H2,23,26);1-4H,(H2,14,15,16);1-4H,14H2,(H3,13,15,16,17);1-5H,(H2,13,14,15).

What are the key properties of 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1278.44 g/mol, XLogP of 13.67, 6 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;5-bromo-4-(4-chlorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(4-chlorophenyl)pyrimidin-2-amine;7-(4-chlorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 160789310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).