5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C78H70BBr3Cl2N32O2 — CID 159163809

About 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 159163809) has the molecular formula C78H70BBr3Cl2N32O2 and a molecular weight of 1809.07 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 159163809
• Molecular Formula: C78H70BBr3Cl2N32O2
• Molecular Weight: 1809.07 g/mol
• Exact Mass: 1804.34
• IUPAC Name: 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC1(C)OB(c2cn[nH]c2)OC1(C)C.NNc1nc(N)nc(-c2ccccc2)c1Br.Nc1nc(-c2ccccc2)c(-c2cn[nH]c2)c2nncn12.Nc1nc(-c2ccccc2)c(-c2cn[nH]c2)c2nncn12.Nc1nc(-c2ccccc2)c(Br)c2nncn12.Nc1nc(Cl)c(Br)c(-c2ccccc2)n1.Nc1nc(Cl)cc(-c2ccccc2)n1
• InChI: InChI=1S/2C14H11N7.C11H8BrN5.C10H7BrClN3.C10H10BrN5.C10H8ClN3.C9H15BN2O2/c2*15-14-19-12(9-4-2-1-3-5-9)11(10-6-16-17-7-10)13-20-18-8-21(13)14;12-8-9(7-4-2-1-3-5-7)15-11(13)17-6-14-16-10(8)17;11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12;11-7-8(6-4-2-1-3-5-6)14-10(12)15-9(7)16-13;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h2*1-8H,(H2,15,19)(H,16,17);1-6H,(H2,13,15);1-5H,(H2,13,14,15);1-5H,13H2,(H3,12,14,15,16);1-6H,(H2,12,13,14);5-6H,1-4H3,(H,11,12)
• InChIKey: KKUZASLXPMEPDR-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 505.25 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1809.07
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

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-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 159163809) is 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC1(C)OB(c2cn[nH]c2)OC1(C)C.NNc1nc(N)nc(-c2ccccc2)c1Br.Nc1nc(-c2ccccc2)c(-c2cn[nH]c2)c2nncn12.Nc1nc(-c2ccccc2)c(-c2cn[nH]c2)c2nncn12.Nc1nc(-c2ccccc2)c(Br)c2nncn12.Nc1nc(Cl)c(Br)c(-c2ccccc2)n1.Nc1nc(Cl)cc(-c2ccccc2)n1.

What is the InChIKey of 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is KKUZASLXPMEPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11N7.C11H8BrN5.C10H7BrClN3.C10H10BrN5.C10H8ClN3.C9H15BN2O2/c2*15-14-19-12(9-4-2-1-3-5-9)11(10-6-16-17-7-10)13-20-18-8-21(13)14;12-8-9(7-4-2-1-3-5-7)15-11(13)17-6-14-16-10(8)17;11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12;11-7-8(6-4-2-1-3-5-6)14-10(12)15-9(7)16-13;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h2*1-8H,(H2,15,19)(H,16,17);1-6H,(H2,13,15);1-5H,(H2,13,14,15);1-5H,13H2,(H3,12,14,15,16);1-6H,(H2,12,13,14);5-6H,1-4H3,(H,11,12).

What are the key properties of 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1809.07 g/mol, XLogP of 13.67, 10 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-chloro-6-phenylpyrimidin-2-amine;5-bromo-4-hydrazinyl-6-phenylpyrimidin-2-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;4-chloro-6-phenylpyrimidin-2-amine;bis(7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 159163809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).