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

C54H35BBr2Cl2F13N17O2 — CID 160558637

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

5-bromo-4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 160558637) has the molecular formula C54H35BBr2Cl2F13N17O2 and a molecular weight of 1442.49 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 160558637
• Molecular Formula: C54H35BBr2Cl2F13N17O2
• Molecular Weight: 1442.49 g/mol
• Exact Mass: 1439.08
• IUPAC Name: 5-bromo-4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1.NNc1nc(N)nc(-c2ccc(F)cc2F)c1Br.Nc1nc(Cl)c(Br)c(-c2ccc(F)cc2F)n1.Nc1nc(Cl)cc(-c2ccc(F)cc2F)n1.OB(O)c1ccc(F)cc1F
• InChI: InChI=1S/C18H11F5N6.C10H5BrClF2N3.C10H8BrF2N5.C10H6ClF2N3.C6H5BF2O2/c1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(19)6-12(11)20)27-17(24)29-7-25-28-16(14)29;11-7-8(16-10(15)17-9(7)12)5-2-1-4(13)3-6(5)14;11-7-8(16-10(14)17-9(7)18-15)5-2-1-4(12)3-6(5)13;11-9-4-8(15-10(14)16-9)6-2-1-5(12)3-7(6)13;8-4-1-2-5(7(10)11)6(9)3-4/h2-7H,1H3,(H2,24,27);1-3H,(H2,15,16,17);1-3H,15H2,(H3,14,16,17,18);1-4H,(H2,14,15,16);1-3,10-11H
• InChIKey: QZABWYJAIXEUJR-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 315.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1442.49
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 160558637) is 5-bromo-4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1.NNc1nc(N)nc(-c2ccc(F)cc2F)c1Br.Nc1nc(Cl)c(Br)c(-c2ccc(F)cc2F)n1.Nc1nc(Cl)cc(-c2ccc(F)cc2F)n1.OB(O)c1ccc(F)cc1F.

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

The InChIKey is QZABWYJAIXEUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N6.C10H5BrClF2N3.C10H8BrF2N5.C10H6ClF2N3.C6H5BF2O2/c1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(19)6-12(11)20)27-17(24)29-7-25-28-16(14)29;11-7-8(16-10(15)17-9(7)12)5-2-1-4(13)3-6(5)14;11-7-8(16-10(14)17-9(7)18-15)5-2-1-4(12)3-6(5)13;11-9-4-8(15-10(14)16-9)6-2-1-5(12)3-7(6)13;8-4-1-2-5(7(10)11)6(9)3-4/h2-7H,1H3,(H2,24,27);1-3H,(H2,15,16,17);1-3H,15H2,(H3,14,16,17,18);1-4H,(H2,14,15,16);1-3,10-11H.

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

5-bromo-4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1442.49 g/mol, XLogP of 11.81, 7 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;5-bromo-4-(2,4-difluorophenyl)-6-hydrazinylpyrimidin-2-amine;4-chloro-6-(2,4-difluorophenyl)pyrimidin-2-amine;(2,4-difluorophenyl)boronic acid;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 160558637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).