(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

C139H198F8N50O11 — CID 167686248

IUPAC(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCC(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCCC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(C)nc12.Nc1nc(N[C@@H](CO)CCCCF)c2ncccc2n1
InChIInChI=1S/C18H27N5O.C15H23N5O.2C14H21N5O.C13H16F3N5O.C13H17F2N5O.3C13H18FN5O.C13H19N5O2/c1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-3-5-6-11(9-21)18-14-13-12(19-15(16)20-14)7-10(4-2)8-17-13;1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13;1-2-3-4-6-10(9-20)17-13-12-11(7-5-8-16-12)18-14(15)19-13;1-2-3-8(6-22)19-11-10-9(20-12(17)21-11)4-7(5-18-10)13(14,15)16;1-13(14,15)5-4-8(7-21)18-11-10-9(3-2-6-17-10)19-12(16)20-11;1-8(14)4-5-9(7-20)17-12-11-10(3-2-6-16-11)18-13(15)19-12;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)5-9(14)7(2)16-11;14-6-2-1-4-9(8-20)17-12-11-10(5-3-7-16-11)18-13(15)19-12;1-2-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20)6-15-11/h10-11H,5-9H2,1-4H3,(H3,19,21,22,23);7-8,11,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);3-4,7,9-10,20H,5-6,8H2,1-2H3,(H3,15,17,18,19);5,7-8,10,20H,2-4,6,9H2,1H3,(H3,15,17,18,19);4-5,8,22H,2-3,6H2,1H3,(H3,17,19,20,21);2-3,6,8,21H,4-5,7H2,1H3,(H3,16,18,19,20);2-3,6,8-9,20H,4-5,7H2,1H3,(H3,15,17,18,19);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);3,5,7,9,20H,1-2,4,6,8H2,(H3,15,17,18,19);5-6,8,19-20H,2-4,7H2,1H3,(H3,14,16,17,18)/t18-;11-;2*10-;2*8-;8?,9-;8-;9-;8-/m1111011011/s1
InChIKeyWGMJUDWJHAHDEA-BGWNEXQBSA-N
MW2897.44 g/mol
LogP19.51
Rot. Bonds63

About (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 167686248) has the molecular formula C139H198F8N50O11 and a molecular weight of 2897.44 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID167686248
Molecular FormulaC139H198F8N50O11
Molecular Weight2897.44 g/mol
Exact Mass2895.63
IUPAC Name(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCC(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCCC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(C)nc12.Nc1nc(N[C@@H](CO)CCCCF)c2ncccc2n1
InChIInChI=1S/C18H27N5O.C15H23N5O.2C14H21N5O.C13H16F3N5O.C13H17F2N5O.3C13H18FN5O.C13H19N5O2/c1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-3-5-6-11(9-21)18-14-13-12(19-15(16)20-14)7-10(4-2)8-17-13;1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13;1-2-3-4-6-10(9-20)17-13-12-11(7-5-8-16-12)18-14(15)19-13;1-2-3-8(6-22)19-11-10-9(20-12(17)21-11)4-7(5-18-10)13(14,15)16;1-13(14,15)5-4-8(7-21)18-11-10-9(3-2-6-17-10)19-12(16)20-11;1-8(14)4-5-9(7-20)17-12-11-10(3-2-6-16-11)18-13(15)19-12;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)5-9(14)7(2)16-11;14-6-2-1-4-9(8-20)17-12-11-10(5-3-7-16-11)18-13(15)19-12;1-2-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20)6-15-11/h10-11H,5-9H2,1-4H3,(H3,19,21,22,23);7-8,11,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);3-4,7,9-10,20H,5-6,8H2,1-2H3,(H3,15,17,18,19);5,7-8,10,20H,2-4,6,9H2,1H3,(H3,15,17,18,19);4-5,8,22H,2-3,6H2,1H3,(H3,17,19,20,21);2-3,6,8,21H,4-5,7H2,1H3,(H3,16,18,19,20);2-3,6,8-9,20H,4-5,7H2,1H3,(H3,15,17,18,19);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);3,5,7,9,20H,1-2,4,6,8H2,(H3,15,17,18,19);5-6,8,19-20H,2-4,7H2,1H3,(H3,14,16,17,18)/t18-;11-;2*10-;2*8-;8?,9-;8-;9-;8-/m1111011011/s1
InChIKeyWGMJUDWJHAHDEA-BGWNEXQBSA-N
XLogP19.51
TPSA986.57 Ų
H-Bond Donors30
H-Bond Acceptors61
Rotatable Bonds63
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002897.44
LogP ≤ 519.51
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 167686248) is (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is CC(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCCC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(C)nc12.Nc1nc(N[C@@H](CO)CCCCF)c2ncccc2n1.
What is the InChIKey of (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is WGMJUDWJHAHDEA-BGWNEXQBSA-N. The full InChI is InChI=1S/C18H27N5O.C15H23N5O.2C14H21N5O.C13H16F3N5O.C13H17F2N5O.3C13H18FN5O.C13H19N5O2/c1-5-6-8-18(4,9-7-13(3)24)23-16-15-14(21-17(19)22-16)10-12(2)11-20-15;1-3-5-6-11(9-21)18-14-13-12(19-15(16)20-14)7-10(4-2)8-17-13;1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13;1-2-3-4-6-10(9-20)17-13-12-11(7-5-8-16-12)18-14(15)19-13;1-2-3-8(6-22)19-11-10-9(20-12(17)21-11)4-7(5-18-10)13(14,15)16;1-13(14,15)5-4-8(7-21)18-11-10-9(3-2-6-17-10)19-12(16)20-11;1-8(14)4-5-9(7-20)17-12-11-10(3-2-6-16-11)18-13(15)19-12;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)5-9(14)7(2)16-11;14-6-2-1-4-9(8-20)17-12-11-10(5-3-7-16-11)18-13(15)19-12;1-2-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20)6-15-11/h10-11H,5-9H2,1-4H3,(H3,19,21,22,23);7-8,11,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);3-4,7,9-10,20H,5-6,8H2,1-2H3,(H3,15,17,18,19);5,7-8,10,20H,2-4,6,9H2,1H3,(H3,15,17,18,19);4-5,8,22H,2-3,6H2,1H3,(H3,17,19,20,21);2-3,6,8,21H,4-5,7H2,1H3,(H3,16,18,19,20);2-3,6,8-9,20H,4-5,7H2,1H3,(H3,15,17,18,19);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);3,5,7,9,20H,1-2,4,6,8H2,(H3,15,17,18,19);5-6,8,19-20H,2-4,7H2,1H3,(H3,14,16,17,18)/t18-;11-;2*10-;2*8-;8?,9-;8-;9-;8-/m1111011011/s1.
What are the key properties of (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 2897.44 g/mol, XLogP of 19.51, 63 rotatable bonds, 30 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 167686248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).