(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde

C85H104F3N25O10 — CID 165047624

About (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde

(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde (PubChem CID 165047624) has the molecular formula C85H104F3N25O10 and a molecular weight of 1692.93 g/mol. Its IUPAC name is (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 165047624
• Molecular Formula: C85H104F3N25O10
• Molecular Weight: 1692.93 g/mol
• Exact Mass: 1691.84
• IUPAC Name: (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde
• SMILES: CCCC[C@@H](Nc1nc(N)nc2cccnc12)C1=NN=CC1.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(=O)O.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(N)=O.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C1=NN=CC1.O=CC(F)(F)F
• InChI: InChI=1S/C24H29N7O2.C22H28N6O3.C22H27N5O4.C15H19N7.C2HF3O/c1-4-5-7-18(19-11-13-27-31-19)28-23-22-20(8-6-12-25-22)29-24(30-23)26-15-16-9-10-17(32-2)14-21(16)33-3;1-4-5-7-17(20(23)29)26-21-19-16(8-6-11-24-19)27-22(28-21)25-13-14-9-10-15(30-2)12-18(14)31-3;1-4-5-7-17(21(28)29)25-20-19-16(8-6-11-23-19)26-22(27-20)24-13-14-9-10-15(30-2)12-18(14)31-3;1-2-3-5-10(11-7-9-18-22-11)19-14-13-12(6-4-8-17-13)20-15(16)21-14;3-2(4,5)1-6/h6,8-10,12-14,18H,4-5,7,11,15H2,1-3H3,(H2,26,28,29,30);6,8-12,17H,4-5,7,13H2,1-3H3,(H2,23,29)(H2,25,26,27,28);6,8-12,17H,4-5,7,13H2,1-3H3,(H,28,29)(H2,24,25,26,27);4,6,8-10H,2-3,5,7H2,1H3,(H3,16,19,20,21);1H/t18-;2*17-;10-;/m1111./s1
• InChIKey: PDQXLKCKFMBVTE-IFSYVQMOSA-N
• XLogP: 14.43
• TPSA: 467.19 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 39
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1692.93
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde (CID 165047624) is (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde is CCCC[C@@H](Nc1nc(N)nc2cccnc12)C1=NN=CC1.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(=O)O.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C(N)=O.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)C1=NN=CC1.O=CC(F)(F)F.

What is the InChIKey of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

The InChIKey is PDQXLKCKFMBVTE-IFSYVQMOSA-N. The full InChI is InChI=1S/C24H29N7O2.C22H28N6O3.C22H27N5O4.C15H19N7.C2HF3O/c1-4-5-7-18(19-11-13-27-31-19)28-23-22-20(8-6-12-25-22)29-24(30-23)26-15-16-9-10-17(32-2)14-21(16)33-3;1-4-5-7-17(20(23)29)26-21-19-16(8-6-11-24-19)27-22(28-21)25-13-14-9-10-15(30-2)12-18(14)31-3;1-4-5-7-17(21(28)29)25-20-19-16(8-6-11-23-19)26-22(27-20)24-13-14-9-10-15(30-2)12-18(14)31-3;1-2-3-5-10(11-7-9-18-22-11)19-14-13-12(6-4-8-17-13)20-15(16)21-14;3-2(4,5)1-6/h6,8-10,12-14,18H,4-5,7,11,15H2,1-3H3,(H2,26,28,29,30);6,8-12,17H,4-5,7,13H2,1-3H3,(H2,23,29)(H2,25,26,27,28);6,8-12,17H,4-5,7,13H2,1-3H3,(H,28,29)(H2,24,25,26,27);4,6,8-10H,2-3,5,7H2,1H3,(H3,16,19,20,21);1H/t18-;2*17-;10-;/m1111./s1.

What are the key properties of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde?

(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1692.93 g/mol, XLogP of 14.43, 39 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanamide;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoic acid;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-(4H-pyrazol-3-yl)pentyl]pyrido[3,2-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165047624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).