4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine

C96H95Br2F4N29 — CID 159781985

About 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine

4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine (PubChem CID 159781985) has the molecular formula C96H95Br2F4N29 and a molecular weight of 1890.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine.

Molecular Properties

• Compound Name: 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine
• PubChem CID: 159781985
• Molecular Formula: C96H95Br2F4N29
• Molecular Weight: 1890.82 g/mol
• Exact Mass: 1887.66
• IUPAC Name: 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine
• SMILES: Brc1ccccn1.CBr.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Nc4ccccn4)nc23)ccn1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(NC(C)(C)C)n3nc(N)nc23)ccn1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(NC(C)(C)C)n3nc(Nc4ccccn4)nc23)ccn1.Cc1cc(-c2c(CN)nc(NC(C)(C)C)nc2-c2ccc(F)cc2)ccn1
• InChI: InChI=1S/C26H25FN8.C22H17FN8.C21H22FN7.C21H24FN5.C5H4BrN.CH3Br/c1-16-15-18(12-14-28-16)21-22(17-8-10-19(27)11-9-17)31-25(33-26(2,3)4)35-23(21)32-24(34-35)30-20-7-5-6-13-29-20;1-13-12-15(9-11-25-13)18-19(14-5-7-16(23)8-6-14)28-21(24)31-20(18)29-22(30-31)27-17-4-2-3-10-26-17;1-12-11-14(9-10-24-12)16-17(13-5-7-15(22)8-6-13)25-20(27-21(2,3)4)29-18(16)26-19(23)28-29;1-13-11-15(9-10-24-13)18-17(12-23)25-20(27-21(2,3)4)26-19(18)14-5-7-16(22)8-6-14;6-5-3-1-2-4-7-5;1-2/h5-15H,1-4H3,(H,31,33)(H,29,30,34);2-12H,1H3,(H2,24,28)(H,26,27,30);5-11H,1-4H3,(H2,23,28)(H,25,27);5-11H,12,23H2,1-4H3,(H,25,26,27);1-4H;1H3
• InChIKey: NHLYESNBQHTZHD-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 383.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.82
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine?

The IUPAC name of 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine (CID 159781985) is 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine.

What is the SMILES notation for 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine?

The canonical SMILES for 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine is Brc1ccccn1.CBr.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Nc4ccccn4)nc23)ccn1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(NC(C)(C)C)n3nc(N)nc23)ccn1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(NC(C)(C)C)n3nc(Nc4ccccn4)nc23)ccn1.Cc1cc(-c2c(CN)nc(NC(C)(C)C)nc2-c2ccc(F)cc2)ccn1.

What is the InChIKey of 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine?

The InChIKey is NHLYESNBQHTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8.C22H17FN8.C21H22FN7.C21H24FN5.C5H4BrN.CH3Br/c1-16-15-18(12-14-28-16)21-22(17-8-10-19(27)11-9-17)31-25(33-26(2,3)4)35-23(21)32-24(34-35)30-20-7-5-6-13-29-20;1-13-12-15(9-11-25-13)18-19(14-5-7-16(23)8-6-14)28-21(24)31-20(18)29-22(30-31)27-17-4-2-3-10-26-17;1-12-11-14(9-10-24-12)16-17(13-5-7-15(22)8-6-13)25-20(27-21(2,3)4)29-18(16)26-19(23)28-29;1-13-11-15(9-10-24-13)18-17(12-23)25-20(27-21(2,3)4)26-19(18)14-5-7-16(22)8-6-14;6-5-3-1-2-4-7-5;1-2/h5-15H,1-4H3,(H,31,33)(H,29,30,34);2-12H,1H3,(H2,24,28)(H,26,27,30);5-11H,1-4H3,(H2,23,28)(H,25,27);5-11H,12,23H2,1-4H3,(H,25,26,27);1-4H;1H3.

What are the key properties of 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine?

4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine has a molecular weight of 1890.82 g/mol, XLogP of 20.94, 16 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-N-tert-butyl-6-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine;bromomethane;2-bromopyridine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;5-N-tert-butyl-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine;7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-2-N-pyridin-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-2,5-diamine is sourced from PubChem (CID 159781985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).