4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride

C89H118Cl5N25O10 — CID 159292743

About 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride

4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride (PubChem CID 159292743) has the molecular formula C89H118Cl5N25O10 and a molecular weight of 1875.35 g/mol. Its IUPAC name is 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride.

Molecular Properties

• Compound Name: 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride
• PubChem CID: 159292743
• Molecular Formula: C89H118Cl5N25O10
• Molecular Weight: 1875.35 g/mol
• Exact Mass: 1871.79
• IUPAC Name: 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride
• SMILES: CCCC[C@@H](N)CN1C(=O)c2ccccc2C1=O.CCCC[C@@H](N)CN1C(=O)c2ccccc2C1=O.CCCC[C@H](CN)Nc1nc(N)nc2cccnc12.CCCC[C@H](CN)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C.Cl.Cl.Clc1nc(Cl)c2ncccc2n1.[H]/N=N/N=NCl
• InChI: InChI=1S/C22H30N6O2.C19H26N2O4.2C14H18N2O2.C13H20N6.C7H3Cl2N3.ClHN4.2ClH/c1-4-5-7-16(13-23)26-21-20-18(8-6-11-24-20)27-22(28-21)25-14-15-9-10-17(29-2)12-19(15)30-3;1-5-6-9-13(20-18(24)25-19(2,3)4)12-21-16(22)14-10-7-8-11-15(14)17(21)23;2*1-2-3-6-10(15)9-16-13(17)11-7-4-5-8-12(11)14(16)18;1-2-3-5-9(8-14)17-12-11-10(6-4-7-16-11)18-13(15)19-12;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-3-5-4-2;;/h6,8-12,16H,4-5,7,13-14,23H2,1-3H3,(H2,25,26,27,28);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,24);2*4-5,7-8,10H,2-3,6,9,15H2,1H3;4,6-7,9H,2-3,5,8,14H2,1H3,(H3,15,17,18,19);1-3H;2H;2*1H/b;;;;;;4-2+,5-3?;;/t16-;13-;2*10-;9-;;;;/m11111..../s1
• InChIKey: IUPOTXXQCIRXSI-WSAQSMNFSA-N
• XLogP: 16.80
• TPSA: 512.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.35
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride?

The IUPAC name of 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride (CID 159292743) is 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride.

What is the SMILES notation for 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride?

The canonical SMILES for 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride is CCCC[C@@H](N)CN1C(=O)c2ccccc2C1=O.CCCC[C@@H](N)CN1C(=O)c2ccccc2C1=O.CCCC[C@H](CN)Nc1nc(N)nc2cccnc12.CCCC[C@H](CN)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C.Cl.Cl.Clc1nc(Cl)c2ncccc2n1.[H]/N=N/N=NCl.

What is the InChIKey of 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride?

The InChIKey is IUPOTXXQCIRXSI-WSAQSMNFSA-N. The full InChI is InChI=1S/C22H30N6O2.C19H26N2O4.2C14H18N2O2.C13H20N6.C7H3Cl2N3.ClHN4.2ClH/c1-4-5-7-16(13-23)26-21-20-18(8-6-11-24-20)27-22(28-21)25-14-15-9-10-17(29-2)12-19(15)30-3;1-5-6-9-13(20-18(24)25-19(2,3)4)12-21-16(22)14-10-7-8-11-15(14)17(21)23;2*1-2-3-6-10(15)9-16-13(17)11-7-4-5-8-12(11)14(16)18;1-2-3-5-9(8-14)17-12-11-10(6-4-7-16-11)18-13(15)19-12;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-3-5-4-2;;/h6,8-12,16H,4-5,7,13-14,23H2,1-3H3,(H2,25,26,27,28);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,24);2*4-5,7-8,10H,2-3,6,9,15H2,1H3;4,6-7,9H,2-3,5,8,14H2,1H3,(H3,15,17,18,19);1-3H;2H;2*1H/b;;;;;;4-2+,5-3?;;/t16-;13-;2*10-;9-;;;;/m11111..../s1.

What are the key properties of 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride?

4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride has a molecular weight of 1875.35 g/mol, XLogP of 16.80, 34 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 159292743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).