(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde

C93H143Cl7F3N21O10 — CID 165004578

About (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde

(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde (PubChem CID 165004578) has the molecular formula C93H143Cl7F3N21O10 and a molecular weight of 2020.47 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 165004578
• Molecular Formula: C93H143Cl7F3N21O10
• Molecular Weight: 2020.47 g/mol
• Exact Mass: 2015.91
• IUPAC Name: (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde
• SMILES: CCCC[C@@](C)(N)CO.CCCC[C@](C)(CO)Nc1nc(Cl)nc2cc(Cl)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.CCN(C(C)C)C(C)C.CCN(C(C)C)C(C)C.CO.COc1ccc(CN)c(OC)c1.Clc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F
• InChI: InChI=1S/C23H30ClN5O3.C14H18Cl2N4O.C14H20ClN5O.C9H13NO2.2C8H19N.C7H2Cl3N3.C7H17NO.C2HF3O.CH4O/c1-5-6-9-23(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;2*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;2*1-6-9(7(2)3)8(4)5;8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2,8)6-9;3-2(4,5)1-6;1-2/h7-8,10-11,13,30H,5-6,9,12,14H2,1-4H3,(H2,26,27,28,29);6-7,21H,3-5,8H2,1-2H3,(H,18,19,20);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);3-5H,6,10H2,1-2H3;2*7-8H,6H2,1-5H3;1-2H;9H,3-6,8H2,1-2H3;1H;2H,1H3/t23-;2*14-;;;;;7-;;/m111....1../s1
• InChIKey: ITMRDZFWLKIKOF-URZQMVSCSA-N
• XLogP: 20.60
• TPSA: 442.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.47
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde (CID 165004578) is (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde is CCCC[C@@](C)(N)CO.CCCC[C@](C)(CO)Nc1nc(Cl)nc2cc(Cl)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Cl)cnc12.CCN(C(C)C)C(C)C.CCN(C(C)C)C(C)C.CO.COc1ccc(CN)c(OC)c1.Clc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F.

What is the InChIKey of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

The InChIKey is ITMRDZFWLKIKOF-URZQMVSCSA-N. The full InChI is InChI=1S/C23H30ClN5O3.C14H18Cl2N4O.C14H20ClN5O.C9H13NO2.2C8H19N.C7H2Cl3N3.C7H17NO.C2HF3O.CH4O/c1-5-6-9-23(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;2*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;2*1-6-9(7(2)3)8(4)5;8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2,8)6-9;3-2(4,5)1-6;1-2/h7-8,10-11,13,30H,5-6,9,12,14H2,1-4H3,(H2,26,27,28,29);6-7,21H,3-5,8H2,1-2H3,(H,18,19,20);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);3-5H,6,10H2,1-2H3;2*7-8H,6H2,1-5H3;1-2H;9H,3-6,8H2,1-2H3;1H;2H,1H3/t23-;2*14-;;;;;7-;;/m111....1../s1.

What are the key properties of (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde?

(2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde has a molecular weight of 2020.47 g/mol, XLogP of 20.60, 36 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[7-chloro-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,4,7-trichloropyrido[3,2-d]pyrimidine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165004578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).