lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane

C62H78AlF9LiN15O10 — CID 159957330

About lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane

lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane (PubChem CID 159957330) has the molecular formula C62H78AlF9LiN15O10 and a molecular weight of 1398.31 g/mol. Its IUPAC name is lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane.

Molecular Properties

• Compound Name: lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane
• PubChem CID: 159957330
• Molecular Formula: C62H78AlF9LiN15O10
• Molecular Weight: 1398.31 g/mol
• Exact Mass: 1397.59
• IUPAC Name: lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane
• SMILES: C1CCOC1.COC(=O)[C@@H](CCCC(F)(F)F)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.COc1ccc(CNc2nc(N[C@H](CCCC(F)(F)F)C(=O)O)c3ncccc3n2)c(OC)c1.Nc1nc(N[C@@H](CO)CCCC(F)(F)F)c2ncccc2n1.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C23H26F3N5O4.C22H24F3N5O4.C13H16F3N5O.C4H8O.Al.Li.4H/c1-33-15-9-8-14(18(12-15)34-2)13-28-22-30-16-7-5-11-27-19(16)20(31-22)29-17(21(32)35-3)6-4-10-23(24,25)26;1-33-14-8-7-13(17(11-14)34-2)12-27-21-29-15-6-4-10-26-18(15)19(30-21)28-16(20(31)32)5-3-9-22(23,24)25;14-13(15,16)5-1-3-8(7-22)19-11-10-9(4-2-6-18-10)20-12(17)21-11;1-2-4-5-3-1;;;;;;/h5,7-9,11-12,17H,4,6,10,13H2,1-3H3,(H2,28,29,30,31);4,6-8,10-11,16H,3,5,9,12H2,1-2H3,(H,31,32)(H2,27,28,29,30);2,4,6,8,22H,1,3,5,7H2,(H3,17,19,20,21);1-4H2;;;;;;/q;;;;;+1;;;;-1/t17-;16-;8-;;;;;;;/m111......./s1
• InChIKey: LZXBXIBLSJKHLJ-HIKFSNCPSA-N
• XLogP: 7.43
• TPSA: 332.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1398.31
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane?

The IUPAC name of lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane (CID 159957330) is lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane.

What is the SMILES notation for lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane?

The canonical SMILES for lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane is C1CCOC1.COC(=O)[C@@H](CCCC(F)(F)F)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.COc1ccc(CNc2nc(N[C@H](CCCC(F)(F)F)C(=O)O)c3ncccc3n2)c(OC)c1.Nc1nc(N[C@@H](CO)CCCC(F)(F)F)c2ncccc2n1.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane?

The InChIKey is LZXBXIBLSJKHLJ-HIKFSNCPSA-N. The full InChI is InChI=1S/C23H26F3N5O4.C22H24F3N5O4.C13H16F3N5O.C4H8O.Al.Li.4H/c1-33-15-9-8-14(18(12-15)34-2)13-28-22-30-16-7-5-11-27-19(16)20(31-22)29-17(21(32)35-3)6-4-10-23(24,25)26;1-33-14-8-7-13(17(11-14)34-2)12-27-21-29-15-6-4-10-26-18(15)19(30-21)28-16(20(31)32)5-3-9-22(23,24)25;14-13(15,16)5-1-3-8(7-22)19-11-10-9(4-2-6-18-10)20-12(17)21-11;1-2-4-5-3-1;;;;;;/h5,7-9,11-12,17H,4,6,10,13H2,1-3H3,(H2,28,29,30,31);4,6-8,10-11,16H,3,5,9,12H2,1-2H3,(H,31,32)(H2,27,28,29,30);2,4,6,8,22H,1,3,5,7H2,(H3,17,19,20,21);1-4H2;;;;;;/q;;;;;+1;;;;-1/t17-;16-;8-;;;;;;;/m111......./s1.

What are the key properties of lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane?

lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane has a molecular weight of 1398.31 g/mol, XLogP of 7.43, 28 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoic acid;hydride;methyl (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6,6,6-trifluorohexanoate;oxolane is sourced from PubChem (CID 159957330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).