N-[(3-bromo-5-fluorophenyl)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;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C109H115BrClF8N31O6 — CID 159569205

About N-[(3-bromo-5-fluorophenyl)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;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 159569205) has the molecular formula C109H115BrClF8N31O6 and a molecular weight of 2222.67 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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 159569205
• Molecular Formula: C109H115BrClF8N31O6
• Molecular Weight: 2222.67 g/mol
• Exact Mass: 2219.84
• 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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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#N)ccc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(Cl)c(F)cc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(F)cc(Br)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)cc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)cc3F)nc2n1
• InChI: InChI=1S/C19H19FN6O.C18H19BrFN5O.C18H18ClF2N5O.2C18H19F2N5O.C18H21N5O/c1-12-8-17(14-4-6-27-7-5-14)26-19(23-12)24-18(25-26)22-11-15-9-13(10-21)2-3-16(15)20;1-11-6-16(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;2*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/h2-3,8-9,14H,4-7,11H2,1H3,(H,22,25);6-9,13H,2-5,10H2,1H3,(H,21,24);6-8,11H,2-5,9H2,1H3,(H,22,25);2*2-3,8-9,12H,4-7,10H2,1H3,(H,21,24);4-7,10H,8-9,11H2,1-3H3,(H,19,22)
• InChIKey: MHPDZROFFBIMNW-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 409.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2222.67
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', '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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 159569205) is N-[(3-bromo-5-fluorophenyl)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;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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#N)ccc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(Cl)c(F)cc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(F)cc(Br)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)cc3F)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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is MHPDZROFFBIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O.C18H19BrFN5O.C18H18ClF2N5O.2C18H19F2N5O.C18H21N5O/c1-12-8-17(14-4-6-27-7-5-14)26-19(23-12)24-18(25-26)22-11-15-9-13(10-21)2-3-16(15)20;1-11-6-16(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;2*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/h2-3,8-9,14H,4-7,11H2,1H3,(H,22,25);6-9,13H,2-5,10H2,1H3,(H,21,24);6-8,11H,2-5,9H2,1H3,(H,22,25);2*2-3,8-9,12H,4-7,10H2,1H3,(H,21,24);4-7,10H,8-9,11H2,1-3H3,(H,19,22).

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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2222.67 g/mol, XLogP of 20.20, 25 rotatable bonds, 6 hydrogen bond donors, and 37 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-[(5-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine);4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 159569205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).