2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde

C126H180Cl2F3N28O20P — CID 158381835

About 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde

2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde (PubChem CID 158381835) has the molecular formula C126H180Cl2F3N28O20P and a molecular weight of 2566.88 g/mol. Its IUPAC name is 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158381835
• Molecular Formula: C126H180Cl2F3N28O20P
• Molecular Weight: 2566.88 g/mol
• Exact Mass: 2564.31
• IUPAC Name: 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CCCC[C@@H](N)CO.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C1=NC=CC1.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C1=NC=CC1.CCCC[C@H](C=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.Clc1nc(Cl)c2ncccc2n1.O=CC(F)(F)F.OC1OC2OC(O)C(O)OC2OC1O.[2H]CP
• InChI: InChI=1S/C25H30N6O2.C22H29N5O3.C22H27N5O3.C16H20N6.C9H13NO2.C8H19N.C7H3Cl2N3.C6H15NO.C6H10O8.C2HF3O.CH5P.2CH4/c1-4-5-8-20(19-9-6-13-26-19)29-24-23-21(10-7-14-27-23)30-25(31-24)28-16-17-11-12-18(32-2)15-22(17)33-3;2*1-4-5-7-16(14-28)25-21-20-18(8-6-11-23-20)26-22(27-21)24-13-15-9-10-17(29-2)12-19(15)30-3;1-2-3-6-12(11-7-4-9-18-11)20-15-14-13(8-5-10-19-14)21-16(17)22-15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-6-9(7(2)3)8(4)5;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-4-6(7)5-8;7-1-2(8)12-6-5(11-1)13-3(9)4(10)14-6;3-2(4,5)1-6;1-2;;/h6-7,10-15,20H,4-5,8-9,16H2,1-3H3,(H2,28,29,30,31);6,8-12,16,28H,4-5,7,13-14H2,1-3H3,(H2,24,25,26,27);6,8-12,14,16H,4-5,7,13H2,1-3H3,(H2,24,25,26,27);4-5,8-10,12H,2-3,6-7H2,1H3,(H3,17,20,21,22);3-5H,6,10H2,1-2H3;7-8H,6H2,1-5H3;1-3H;6,8H,2-5,7H2,1H3;1-10H;1H;2H2,1H3;2*1H4/t20-;2*16-;12-;;;;6-;;;;;/m1111...1...../s1/i;;;;;;;;;;1D
• InChIKey: GVWRYXHYPGOMJB-NNXDJBKWSA-N
• XLogP: 20.99
• TPSA: 649.86 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 48
• Rotatable Bonds: 49
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2566.88
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde (CID 158381835) is 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde is C.C.CCCC[C@@H](N)CO.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C1=NC=CC1.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C1=NC=CC1.CCCC[C@H](C=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCN(C(C)C)C(C)C.COc1ccc(CN)c(OC)c1.Clc1nc(Cl)c2ncccc2n1.O=CC(F)(F)F.OC1OC2OC(O)C(O)OC2OC1O.[2H]CP.

What is the InChIKey of 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

The InChIKey is GVWRYXHYPGOMJB-NNXDJBKWSA-N. The full InChI is InChI=1S/C25H30N6O2.C22H29N5O3.C22H27N5O3.C16H20N6.C9H13NO2.C8H19N.C7H3Cl2N3.C6H15NO.C6H10O8.C2HF3O.CH5P.2CH4/c1-4-5-8-20(19-9-6-13-26-19)29-24-23-21(10-7-14-27-23)30-25(31-24)28-16-17-11-12-18(32-2)15-22(17)33-3;2*1-4-5-7-16(14-28)25-21-20-18(8-6-11-23-20)26-22(27-21)24-13-15-9-10-17(29-2)12-19(15)30-3;1-2-3-6-12(11-7-4-9-18-11)20-15-14-13(8-5-10-19-14)21-16(17)22-15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-6-9(7(2)3)8(4)5;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-4-6(7)5-8;7-1-2(8)12-6-5(11-1)13-3(9)4(10)14-6;3-2(4,5)1-6;1-2;;/h6-7,10-15,20H,4-5,8-9,16H2,1-3H3,(H2,28,29,30,31);6,8-12,16,28H,4-5,7,13-14H2,1-3H3,(H2,24,25,26,27);6,8-12,14,16H,4-5,7,13H2,1-3H3,(H2,24,25,26,27);4-5,8-10,12H,2-3,6-7H2,1H3,(H3,17,20,21,22);3-5H,6,10H2,1-2H3;7-8H,6H2,1-5H3;1-3H;6,8H,2-5,7H2,1H3;1-10H;1H;2H2,1H3;2*1H4/t20-;2*16-;12-;;;;6-;;;;;/m1111...1...../s1/i;;;;;;;;;;1D;;.

What are the key properties of 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde has a molecular weight of 2566.88 g/mol, XLogP of 20.99, 49 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol;(2R)-2-aminohexan-1-ol;deuteriomethylphosphane;2,4-dichloropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-N-[(1R)-1-(3H-pyrrol-2-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158381835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).