N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide

C49H55Cl2F6N13O4 — CID 161116487

About N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (PubChem CID 161116487) has the molecular formula C49H55Cl2F6N13O4 and a molecular weight of 1074.96 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
• PubChem CID: 161116487
• Molecular Formula: C49H55Cl2F6N13O4
• Molecular Weight: 1074.96 g/mol
• Exact Mass: 1073.38
• IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
• SMILES: CC(C)(CN)CNC(=O)c1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(OCC(F)(F)F)n2)nc1.CCC(C)(C)CNC(=O)c1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(OCC(F)(F)F)n2)nc1
• InChI: InChI=1S/C25H28ClF3N6O2.C24H27ClF3N7O2/c1-4-24(2,3)14-32-22(36)17-7-10-19(31-13-17)33-21-11-20(30-12-16-5-8-18(26)9-6-16)34-23(35-21)37-15-25(27,28)29;1-23(2,12-29)13-32-21(36)16-5-8-18(31-11-16)33-20-9-19(30-10-15-3-6-17(25)7-4-15)34-22(35-20)37-14-24(26,27)28/h5-11,13H,4,12,14-15H2,1-3H3,(H,32,36)(H2,30,31,33,34,35);3-9,11H,10,12-14,29H2,1-2H3,(H,32,36)(H2,30,31,33,34,35)
• InChIKey: UKJRRZJIVUCQHL-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 228.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1074.96
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?

The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (CID 161116487) is N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.

What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?

The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is CC(C)(CN)CNC(=O)c1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(OCC(F)(F)F)n2)nc1.CCC(C)(C)CNC(=O)c1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(OCC(F)(F)F)n2)nc1.

What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?

The InChIKey is UKJRRZJIVUCQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N6O2.C24H27ClF3N7O2/c1-4-24(2,3)14-32-22(36)17-7-10-19(31-13-17)33-21-11-20(30-12-16-5-8-18(26)9-6-16)34-23(35-21)37-15-25(27,28)29;1-23(2,12-29)13-32-21(36)16-5-8-18(31-11-16)33-20-9-19(30-10-15-3-6-17(25)7-4-15)34-22(35-20)37-14-24(26,27)28/h5-11,13H,4,12,14-15H2,1-3H3,(H,32,36)(H2,30,31,33,34,35);3-9,11H,10,12-14,29H2,1-2H3,(H,32,36)(H2,30,31,33,34,35).

What are the key properties of N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?

N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide has a molecular weight of 1074.96 g/mol, XLogP of 10.52, 22 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2,2-dimethylpropyl)-6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 161116487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).