N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C107H115BrCl2F10N32O6 — CID 161425899

About N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 161425899) has the molecular formula C107H115BrCl2F10N32O6 and a molecular weight of 2286.10 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 161425899
• Molecular Formula: C107H115BrCl2F10N32O6
• Molecular Weight: 2286.10 g/mol
• Exact Mass: 2282.81
• IUPAC Name: N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• SMILES: COc1ccc(CNc2nc3nc(C)cc(C4(C)CC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C(F)(F)F)nn3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(Cl)c(F)cc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(F)cc(Br)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)c(Cl)c3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)cc3F)nc2n1
• InChI: InChI=1S/C18H19BrFN5O.2C18H18ClF2N5O.C18H19F2N5O.C18H21N5O.C17H20F3N7O/c1-11-6-16(13-2-4-26-5-3-13)25-18(22-11)23-17(24-25)21-10-12-7-14(19)9-15(20)8-12;1-10-6-16(11-2-4-27-5-3-11)26-18(23-10)24-17(25-26)22-9-12-7-13(19)15(21)8-14(12)20;1-10-8-14(11-4-6-27-7-5-11)26-18(23-10)24-17(25-26)22-9-12-2-3-13(20)15(19)16(12)21;1-11-8-16(12-4-6-26-7-5-12)25-18(22-11)23-17(24-25)21-10-13-2-3-14(19)9-15(13)20;1-12-10-15(18(2)8-9-18)23-17(20-12)21-16(22-23)19-11-13-4-6-14(24-3)7-5-13;1-10-7-13(11-3-5-28-6-4-11)27-16(22-10)23-15(25-27)21-9-12-8-14(17(18,19)20)24-26(12)2/h6-9,13H,2-5,10H2,1H3,(H,21,24);6-8,11H,2-5,9H2,1H3,(H,22,25);2-3,8,11H,4-7,9H2,1H3,(H,22,25);2-3,8-9,12H,4-7,10H2,1H3,(H,21,24);4-7,10H,8-9,11H2,1-3H3,(H,19,22);7-8,11H,3-6,9H2,1-2H3,(H,21,25)
• InChIKey: VXIWDQAGYOJOMD-UHFFFAOYSA-N
• XLogP: 20.59
• TPSA: 403.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.10
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 161425899) is N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C4(C)CC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C(F)(F)F)nn3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(Cl)c(F)cc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(F)cc(Br)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)c(Cl)c3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)cc3F)nc2n1.

What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is VXIWDQAGYOJOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN5O.2C18H18ClF2N5O.C18H19F2N5O.C18H21N5O.C17H20F3N7O/c1-11-6-16(13-2-4-26-5-3-13)25-18(22-11)23-17(24-25)21-10-12-7-14(19)9-15(20)8-12;1-10-6-16(11-2-4-27-5-3-11)26-18(23-10)24-17(25-26)22-9-12-7-13(19)15(21)8-14(12)20;1-10-8-14(11-4-6-27-7-5-11)26-18(23-10)24-17(25-26)22-9-12-2-3-13(20)15(19)16(12)21;1-11-8-16(12-4-6-26-7-5-12)25-18(22-11)23-17(24-25)21-10-13-2-3-14(19)9-15(13)20;1-12-10-15(18(2)8-9-18)23-17(20-12)21-16(22-23)19-11-13-4-6-14(24-3)7-5-13;1-10-7-13(11-3-5-28-6-4-11)27-16(22-10)23-15(25-27)21-9-12-8-14(17(18,19)20)24-26(12)2/h6-9,13H,2-5,10H2,1H3,(H,21,24);6-8,11H,2-5,9H2,1H3,(H,22,25);2-3,8,11H,4-7,9H2,1H3,(H,22,25);2-3,8-9,12H,4-7,10H2,1H3,(H,21,24);4-7,10H,8-9,11H2,1-3H3,(H,19,22);7-8,11H,3-6,9H2,1-2H3,(H,21,25).

What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2286.10 g/mol, XLogP of 20.59, 25 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-bromo-5-fluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 161425899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).