2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol

C61H70N18O7 — CID 163804825

About 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol

2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol (PubChem CID 163804825) has the molecular formula C61H70N18O7 and a molecular weight of 1167.35 g/mol. Its IUPAC name is 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol.

Molecular Properties

• Compound Name: 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol
• PubChem CID: 163804825
• Molecular Formula: C61H70N18O7
• Molecular Weight: 1167.35 g/mol
• Exact Mass: 1166.57
• IUPAC Name: 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol
• SMILES: CO.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(C4CC(c5ccc(C(C)(C)N)cn5)C4)nn23)c(OC)c1.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(C4CC(c5ccc(C(C)(C)N=[N+]=[N-])cn5)C4)nn23)c(OC)c1
• InChI: InChI=1S/C30H32N10O3.C30H34N8O3.CH4O/c1-17-25(28-32-10-11-43-28)35-29(34-15-18-6-8-22(41-4)14-24(18)42-5)40-27(17)36-26(37-40)20-12-19(13-20)23-9-7-21(16-33-23)30(2,3)38-39-31;1-17-25(28-32-10-11-41-28)35-29(34-15-18-6-8-22(39-4)14-24(18)40-5)38-27(17)36-26(37-38)20-12-19(13-20)23-9-7-21(16-33-23)30(2,3)31;1-2/h6-11,14,16,19-20H,12-13,15H2,1-5H3,(H,34,35);6-11,14,16,19-20H,12-13,15,31H2,1-5H3,(H,34,35);2H,1H3
• InChIKey: NIDFRJDYLUCTMM-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 319.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.35
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol?

The IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol (CID 163804825) is 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol.

What is the SMILES notation for 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol?

The canonical SMILES for 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol is CO.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(C4CC(c5ccc(C(C)(C)N)cn5)C4)nn23)c(OC)c1.COc1ccc(CNc2nc(-c3ncco3)c(C)c3nc(C4CC(c5ccc(C(C)(C)N=[N+]=[N-])cn5)C4)nn23)c(OC)c1.

What is the InChIKey of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol?

The InChIKey is NIDFRJDYLUCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N10O3.C30H34N8O3.CH4O/c1-17-25(28-32-10-11-43-28)35-29(34-15-18-6-8-22(41-4)14-24(18)42-5)40-27(17)36-26(37-40)20-12-19(13-20)23-9-7-21(16-33-23)30(2,3)38-39-31;1-17-25(28-32-10-11-41-28)35-29(34-15-18-6-8-22(39-4)14-24(18)40-5)38-27(17)36-26(37-38)20-12-19(13-20)23-9-7-21(16-33-23)30(2,3)31;1-2/h6-11,14,16,19-20H,12-13,15H2,1-5H3,(H,34,35);6-11,14,16,19-20H,12-13,15,31H2,1-5H3,(H,34,35);2H,1H3.

What are the key properties of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol?

2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol has a molecular weight of 1167.35 g/mol, XLogP of 10.89, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[3-[5-(2-azidopropan-2-yl)-2-pyridinyl]cyclobutyl]-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methanol is sourced from PubChem (CID 163804825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).