(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one

C156H227Cl2F2N45O9 — CID 158508404

IUPAC(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
SMILESCCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(CF)CC(C)=O.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H26ClN5O.3C18H27N5O.C17H24ClN5O.2C17H24FN5O.C17H25N5O.C16H23N5O/c1-4-5-6-8-18(3,9-7-12(2)25)24-16-15-14(22-17(20)23-16)10-13(19)11-21-15;1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16;2*1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-4-6-13(12(10-18)9-11(2)24)21-16-15-14(7-5-8-20-15)22-17(19)23-16;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-6-12(9-8-11(2)22)19-15-14-13(7-5-10-18-14)20-16(17)21-15/h10-11H,4-9H2,1-3H3,(H3,20,22,23,24);8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);10-11H,5-9H2,1-4H3,(H3,19,21,22,23);7-8,12H,4-6,9-11H2,1-3H3,(H3,19,21,22,23);2*9-10H,4-8H2,1-3H3,(H3,19,21,22,23);5,7-8,12-13H,3-4,6,9-10H2,1-2H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);5,7,10,12H,3-4,6,8-9H2,1-2H3,(H3,17,19,20,21)/t4*18-;2*17-;12?,13-;17-;12-/m011000111/s1
InChIKeyHKTAIALAELUXAV-RTLYJEHESA-N
MW2985.74 g/mol
LogP32.29
Rot. Bonds75

About (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one

(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one (PubChem CID 158508404) has the molecular formula C156H227Cl2F2N45O9 and a molecular weight of 2985.74 g/mol. Its IUPAC name is (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
PubChem CID158508404
Molecular FormulaC156H227Cl2F2N45O9
Molecular Weight2985.74 g/mol
Exact Mass2982.80
IUPAC Name(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
SMILESCCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(CF)CC(C)=O.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H26ClN5O.3C18H27N5O.C17H24ClN5O.2C17H24FN5O.C17H25N5O.C16H23N5O/c1-4-5-6-8-18(3,9-7-12(2)25)24-16-15-14(22-17(20)23-16)10-13(19)11-21-15;1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16;2*1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-4-6-13(12(10-18)9-11(2)24)21-16-15-14(7-5-8-20-15)22-17(19)23-16;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-6-12(9-8-11(2)22)19-15-14-13(7-5-10-18-14)20-16(17)21-15/h10-11H,4-9H2,1-3H3,(H3,20,22,23,24);8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);10-11H,5-9H2,1-4H3,(H3,19,21,22,23);7-8,12H,4-6,9-11H2,1-3H3,(H3,19,21,22,23);2*9-10H,4-8H2,1-3H3,(H3,19,21,22,23);5,7-8,12-13H,3-4,6,9-10H2,1-2H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);5,7,10,12H,3-4,6,8-9H2,1-2H3,(H3,17,19,20,21)/t4*18-;2*17-;12?,13-;17-;12-/m011000111/s1
InChIKeyHKTAIALAELUXAV-RTLYJEHESA-N
XLogP32.29
TPSA844.11 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds75
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002985.74
LogP ≤ 532.29
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
The IUPAC name of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one (CID 158508404) is (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one.
What is the SMILES notation for (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
The canonical SMILES for (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one is CCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(CF)CC(C)=O.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(Cl)cnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
The InChIKey is HKTAIALAELUXAV-RTLYJEHESA-N. The full InChI is InChI=1S/C18H26ClN5O.3C18H27N5O.C17H24ClN5O.2C17H24FN5O.C17H25N5O.C16H23N5O/c1-4-5-6-8-18(3,9-7-12(2)25)24-16-15-14(22-17(20)23-16)10-13(19)11-21-15;1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16;2*1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-4-6-13(12(10-18)9-11(2)24)21-16-15-14(7-5-8-20-15)22-17(19)23-16;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-6-12(9-8-11(2)22)19-15-14-13(7-5-10-18-14)20-16(17)21-15/h10-11H,4-9H2,1-3H3,(H3,20,22,23,24);8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);10-11H,5-9H2,1-4H3,(H3,19,21,22,23);7-8,12H,4-6,9-11H2,1-3H3,(H3,19,21,22,23);2*9-10H,4-8H2,1-3H3,(H3,19,21,22,23);5,7-8,12-13H,3-4,6,9-10H2,1-2H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);5,7,10,12H,3-4,6,8-9H2,1-2H3,(H3,17,19,20,21)/t4*18-;2*17-;12?,13-;17-;12-/m011000111/s1.
What are the key properties of (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one?
(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one has a molecular weight of 2985.74 g/mol, XLogP of 32.29, 75 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one is sourced from PubChem (CID 158508404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).