lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol

C83H145Cl2LiN14O10 — CID 159190091

About lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol

lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol (PubChem CID 159190091) has the molecular formula C83H145Cl2LiN14O10 and a molecular weight of 1577.01 g/mol. Its IUPAC name is lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol.

Molecular Properties

• Compound Name: lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol
• PubChem CID: 159190091
• Molecular Formula: C83H145Cl2LiN14O10
• Molecular Weight: 1577.01 g/mol
• Exact Mass: 1575.08
• IUPAC Name: lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol
• SMILES: CCCCC(C)C(C)O.CCCCC(C)C=O.CCCCC(N)C(C)O.CCCCC(Nc1nc(N)nc2ccccc12)C(C)O.CCCCC(Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(C)O.CCCC[C@H](C)CO.CCCC[C@H](N)CO.CCO.Clc1nc(Cl)c2ncccc2n1.[CH3-].[Li+]
• InChI: InChI=1S/C23H31N5O3.C15H22N4O.C8H18O.C7H3Cl2N3.C7H17NO.C7H16O.C7H14O.C6H15NO.C2H6O.CH3.Li/c1-5-6-8-18(15(2)29)26-22-21-19(9-7-12-24-21)27-23(28-22)25-14-16-10-11-17(30-3)13-20(16)31-4;1-3-4-8-12(10(2)20)17-14-11-7-5-6-9-13(11)18-15(16)19-14;1-4-5-6-7(2)8(3)9;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-3-4-5-7(8)6(2)9;2*1-3-4-5-7(2)6-8;1-2-3-4-6(7)5-8;1-2-3;;/h7,9-13,15,18,29H,5-6,8,14H2,1-4H3,(H2,25,26,27,28);5-7,9-10,12,20H,3-4,8H2,1-2H3,(H3,16,17,18,19);7-9H,4-6H2,1-3H3;1-3H;6-7,9H,3-5,8H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,2-5,7H2,1H3;3H,2H2,1H3;1H3;/q;;;;;;;;;-1;+1/t;;;;;7-;;6-;;;/m.....0.0.../s1
• InChIKey: SWEIYPXRHATSLW-ZMZYBQFXSA-N
• XLogP: 13.74
• TPSA: 394.41 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1577.01
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol?

The IUPAC name of lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol (CID 159190091) is lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol.

What is the SMILES notation for lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol?

The canonical SMILES for lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol is CCCCC(C)C(C)O.CCCCC(C)C=O.CCCCC(N)C(C)O.CCCCC(Nc1nc(N)nc2ccccc12)C(C)O.CCCCC(Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(C)O.CCCC[C@H](C)CO.CCCC[C@H](N)CO.CCO.Clc1nc(Cl)c2ncccc2n1.[CH3-].[Li+].

What is the InChIKey of lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol?

The InChIKey is SWEIYPXRHATSLW-ZMZYBQFXSA-N. The full InChI is InChI=1S/C23H31N5O3.C15H22N4O.C8H18O.C7H3Cl2N3.C7H17NO.C7H16O.C7H14O.C6H15NO.C2H6O.CH3.Li/c1-5-6-8-18(15(2)29)26-22-21-19(9-7-12-24-21)27-23(28-22)25-14-16-10-11-17(30-3)13-20(16)31-4;1-3-4-8-12(10(2)20)17-14-11-7-5-6-9-13(11)18-15(16)19-14;1-4-5-6-7(2)8(3)9;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-3-4-5-7(8)6(2)9;2*1-3-4-5-7(2)6-8;1-2-3-4-6(7)5-8;1-2-3;;/h7,9-13,15,18,29H,5-6,8,14H2,1-4H3,(H2,25,26,27,28);5-7,9-10,12,20H,3-4,8H2,1-2H3,(H3,16,17,18,19);7-9H,4-6H2,1-3H3;1-3H;6-7,9H,3-5,8H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,2-5,7H2,1H3;3H,2H2,1H3;1H3;/q;;;;;;;;;-1;+1/t;;;;;7-;;6-;;;/m.....0.0.../s1.

What are the key properties of lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol?

lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol has a molecular weight of 1577.01 g/mol, XLogP of 13.74, 37 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol is sourced from PubChem (CID 159190091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).