lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde

C104H159AlCl2F7LiN22O15 — CID 160938087

About lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde

lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde (PubChem CID 160938087) has the molecular formula C104H159AlCl2F7LiN22O15 and a molecular weight of 2195.37 g/mol. Its IUPAC name is lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 160938087
• Molecular Formula: C104H159AlCl2F7LiN22O15
• Molecular Weight: 2195.37 g/mol
• Exact Mass: 2193.16
• IUPAC Name: lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CCCCC(C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12.CCCCC(C)(N)C(=O)O.CCCCC(C)(N)C(=O)OC.CCCCC(C)(Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12)C(=O)OC.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C24H30FN5O4.C23H30FN5O3.C14H20FN5O.C9H13NO2.C8H17NO2.C8H19N.C7H2Cl2FN3.C7H15NO2.C2HF3O.2CH4.Al.Li.4H/c1-6-7-10-24(2,22(31)34-5)30-21-20-18(11-16(25)14-26-20)28-23(29-21)27-13-15-8-9-17(32-3)12-19(15)33-4;1-5-6-9-23(2,14-30)29-21-20-18(10-16(24)13-25-20)27-22(28-21)26-12-15-7-8-17(31-3)11-19(15)32-4;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-5-6-8(2,9)7(10)11-3;1-6-9(7(2)3)8(4)5;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;1-3-4-5-7(2,8)6(9)10;3-2(4,5)1-6;;;;;;;;/h8-9,11-12,14H,6-7,10,13H2,1-5H3,(H2,27,28,29,30);7-8,10-11,13,30H,5-6,9,12,14H2,1-4H3,(H2,26,27,28,29);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);3-5H,6,10H2,1-2H3;4-6,9H2,1-3H3;7-8H,6H2,1-5H3;1-2H;3-5,8H2,1-2H3,(H,9,10);1H;2*1H4;;;;;;/q;;;;;;;;;;;;+1;;;;-1
• InChIKey: RJPKUEVBHPIHOZ-UHFFFAOYSA-N
• XLogP: 16.33
• TPSA: 524.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.37
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde (CID 160938087) is lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde is C.C.CCCCC(C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12.CCCCC(C)(N)C(=O)O.CCCCC(C)(N)C(=O)OC.CCCCC(C)(Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12)C(=O)OC.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde?

The InChIKey is RJPKUEVBHPIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4.C23H30FN5O3.C14H20FN5O.C9H13NO2.C8H17NO2.C8H19N.C7H2Cl2FN3.C7H15NO2.C2HF3O.2CH4.Al.Li.4H/c1-6-7-10-24(2,22(31)34-5)30-21-20-18(11-16(25)14-26-20)28-23(29-21)27-13-15-8-9-17(32-3)12-19(15)33-4;1-5-6-9-23(2,14-30)29-21-20-18(10-16(24)13-25-20)27-22(28-21)26-12-15-7-8-17(31-3)11-19(15)32-4;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-5-6-8(2,9)7(10)11-3;1-6-9(7(2)3)8(4)5;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;1-3-4-5-7(2,8)6(9)10;3-2(4,5)1-6;;;;;;;;/h8-9,11-12,14H,6-7,10,13H2,1-5H3,(H2,27,28,29,30);7-8,10-11,13,30H,5-6,9,12,14H2,1-4H3,(H2,26,27,28,29);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);3-5H,6,10H2,1-2H3;4-6,9H2,1-3H3;7-8H,6H2,1-5H3;1-2H;3-5,8H2,1-2H3,(H,9,10);1H;2*1H4;;;;;;/q;;;;;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde?

lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde has a molecular weight of 2195.37 g/mol, XLogP of 16.33, 42 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2-amino-2-methylhexanoic acid;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;hydride;methane;methyl 2-amino-2-methylhexanoate;methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanoate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160938087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).