bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol

C79H110Cl2F15N19O9 — CID 167649649

About bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol

bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol (PubChem CID 167649649) has the molecular formula C79H110Cl2F15N19O9 and a molecular weight of 1825.75 g/mol. Its IUPAC name is bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol.

Molecular Properties

• Compound Name: bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol
• PubChem CID: 167649649
• Molecular Formula: C79H110Cl2F15N19O9
• Molecular Weight: 1825.75 g/mol
• Exact Mass: 1823.79
• IUPAC Name: bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol
• SMILES: C1CCOC1.CCCC[C@@H](C)[C@@H](O)C(F)(F)F.CCCC[C@@H](N)[C@@H](O)C(F)(F)F.CCCC[C@@H](Nc1nc(N)nc2cccnc12)[C@@H](O)C(F)(F)F.CCCC[C@@H](Nc1nc(N)nc2cccnc12)[C@@H](O)C(F)(F)F.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)[C@@H](O)C(F)(F)F.CCO.Clc1nc(Cl)c2ncccc2n1
• InChI: InChI=1S/C23H28F3N5O3.2C14H18F3N5O.C8H15F3O.C7H3Cl2N3.C7H14F3NO.C4H8O.C2H6O/c1-4-5-7-17(20(32)23(24,25)26)29-21-19-16(8-6-11-27-19)30-22(31-21)28-13-14-9-10-15(33-2)12-18(14)34-3;2*1-2-3-5-9(11(23)14(15,16)17)20-12-10-8(6-4-7-19-10)21-13(18)22-12;1-3-4-5-6(2)7(12)8(9,10)11;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-4-5(11)6(12)7(8,9)10;1-2-4-5-3-1;1-2-3/h6,8-12,17,20,32H,4-5,7,13H2,1-3H3,(H2,28,29,30,31);2*4,6-7,9,11,23H,2-3,5H2,1H3,(H3,18,20,21,22);6-7,12H,3-5H2,1-2H3;1-3H;5-6,12H,2-4,11H2,1H3;1-4H2;3H,2H2,1H3/t17-,20-;2*9-,11-;6-,7-;;5-,6-;;/m1111.1../s1
• InChIKey: QJRAVDKOGLDXFB-WBVXYRBZSA-N
• XLogP: 16.84
• TPSA: 429.93 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.75
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol?

The IUPAC name of bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol (CID 167649649) is bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol.

What is the SMILES notation for bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol?

The canonical SMILES for bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol is C1CCOC1.CCCC[C@@H](C)[C@@H](O)C(F)(F)F.CCCC[C@@H](N)[C@@H](O)C(F)(F)F.CCCC[C@@H](Nc1nc(N)nc2cccnc12)[C@@H](O)C(F)(F)F.CCCC[C@@H](Nc1nc(N)nc2cccnc12)[C@@H](O)C(F)(F)F.CCCC[C@@H](Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12)[C@@H](O)C(F)(F)F.CCO.Clc1nc(Cl)c2ncccc2n1.

What is the InChIKey of bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol?

The InChIKey is QJRAVDKOGLDXFB-WBVXYRBZSA-N. The full InChI is InChI=1S/C23H28F3N5O3.2C14H18F3N5O.C8H15F3O.C7H3Cl2N3.C7H14F3NO.C4H8O.C2H6O/c1-4-5-7-17(20(32)23(24,25)26)29-21-19-16(8-6-11-27-19)30-22(31-21)28-13-14-9-10-15(33-2)12-18(14)34-3;2*1-2-3-5-9(11(23)14(15,16)17)20-12-10-8(6-4-7-19-10)21-13(18)22-12;1-3-4-5-6(2)7(12)8(9,10)11;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-4-5(11)6(12)7(8,9)10;1-2-4-5-3-1;1-2-3/h6,8-12,17,20,32H,4-5,7,13H2,1-3H3,(H2,28,29,30,31);2*4,6-7,9,11,23H,2-3,5H2,1H3,(H3,18,20,21,22);6-7,12H,3-5H2,1-2H3;1-3H;5-6,12H,2-4,11H2,1H3;1-4H2;3H,2H2,1H3/t17-,20-;2*9-,11-;6-,7-;;5-,6-;;/m1111.1../s1.

What are the key properties of bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol?

bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol has a molecular weight of 1825.75 g/mol, XLogP of 16.84, 31 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol is sourced from PubChem (CID 167649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).