2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride

C184H187Cl4F16IN40O29Si — CID 159878475

IUPAC2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride
SMILESC1CCOC1.CC[SiH](CC)CC.COC(OC)OC.COc1ccc(CNc2cc(F)ccc2N)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc(N)c(NC3CCOc4c(F)cccc43)n2)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc([N+](=O)[O-])c(NC3CCOc4c(F)cccc43)n2)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc3[nH]c(=O)n(C4CCOc5c(F)cccc54)c3n2)c(OC)c1.Cl.NC1CCOc2c(F)cccc21.Nc1cc(F)ccc1Nc1ncc2[nH]c(=O)n(C3CCOc4c(F)cccc43)c2n1.O=CC(F)(F)F.O=[N+]([O-])c1cnc(Cl)nc1Cl.O=[N+]([O-])c1cnc(Cl)nc1NC1CCOc2c(F)cccc21.O=c1[nH]c2cnc(-n3cnc4cc(F)ccc43)nc2n1C1CCOc2c(F)cccc21.[2H]CI
InChIInChI=1S/C29H26F2N6O4.C28H26F2N6O5.C28H28F2N6O3.C21H14F2N6O2.C20H16F2N6O2.C15H17FN2O2.C13H10ClFN4O3.C9H10FNO.C6H16Si.C4HCl2N3O2.C4H10O3.C4H8O.C2HF3O.CH3I.ClH/c1-39-18-8-6-16(25(13-18)40-2)14-32-22-12-17(30)7-9-21(22)34-28-33-15-23-27(36-28)37(29(38)35-23)24-10-11-41-26-19(24)4-3-5-20(26)31;1-39-18-8-6-16(25(13-18)40-2)14-31-23-12-17(29)7-9-22(23)34-28-32-15-24(36(37)38)27(35-28)33-21-10-11-41-26-19(21)4-3-5-20(26)30;1-37-18-8-6-16(25(13-18)38-2)14-32-24-12-17(29)7-9-23(24)35-28-33-15-21(31)27(36-28)34-22-10-11-39-26-19(22)4-3-5-20(26)30;22-11-4-5-17-14(8-11)25-10-28(17)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23;21-10-4-5-14(13(23)8-10)25-19-24-9-15-18(27-19)28(20(29)26-15)16-6-7-30-17-11(16)2-1-3-12(17)22;1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17;14-13-16-6-10(19(20)21)12(18-13)17-9-4-5-22-11-7(9)2-1-3-8(11)15;10-7-3-1-2-6-8(11)4-5-12-9(6)7;1-4-7(5-2)6-3;5-3-2(9(10)11)1-7-4(6)8-3;1-5-4(6-2)7-3;1-2-4-5-3-1;3-2(4,5)1-6;1-2;/h3-9,12-13,15,24,32H,10-11,14H2,1-2H3,(H,35,38)(H,33,34,36);3-9,12-13,15,21,31H,10-11,14H2,1-2H3,(H2,32,33,34,35);3-9,12-13,15,22,32H,10-11,14,31H2,1-2H3,(H2,33,34,35,36);1-5,8-10,16H,6-7H2,(H,26,30);1-5,8-9,16H,6-7,23H2,(H,26,29)(H,24,25,27);3-8,18H,9,17H2,1-2H3;1-3,6,9H,4-5H2,(H,16,17,18);1-3,8H,4-5,11H2;7H,4-6H2,1-3H3;1H;4H,1-3H3;1-4H2;1H;1H3;1H/i;;;;;;;;;;;;;1D;
InChIKeyYMSATLHHWIJAOA-PBKIWNSBSA-N
MW4024.55 g/mol
LogP37.91
Rot. Bonds47

About 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride

2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride (PubChem CID 159878475) has the molecular formula C184H187Cl4F16IN40O29Si and a molecular weight of 4024.55 g/mol. Its IUPAC name is 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride
PubChem CID159878475
Molecular FormulaC184H187Cl4F16IN40O29Si
Molecular Weight4024.55 g/mol
Exact Mass4020.18
IUPAC Name2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride
SMILESC1CCOC1.CC[SiH](CC)CC.COC(OC)OC.COc1ccc(CNc2cc(F)ccc2N)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc(N)c(NC3CCOc4c(F)cccc43)n2)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc([N+](=O)[O-])c(NC3CCOc4c(F)cccc43)n2)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc3[nH]c(=O)n(C4CCOc5c(F)cccc54)c3n2)c(OC)c1.Cl.NC1CCOc2c(F)cccc21.Nc1cc(F)ccc1Nc1ncc2[nH]c(=O)n(C3CCOc4c(F)cccc43)c2n1.O=CC(F)(F)F.O=[N+]([O-])c1cnc(Cl)nc1Cl.O=[N+]([O-])c1cnc(Cl)nc1NC1CCOc2c(F)cccc21.O=c1[nH]c2cnc(-n3cnc4cc(F)ccc43)nc2n1C1CCOc2c(F)cccc21.[2H]CI
InChIInChI=1S/C29H26F2N6O4.C28H26F2N6O5.C28H28F2N6O3.C21H14F2N6O2.C20H16F2N6O2.C15H17FN2O2.C13H10ClFN4O3.C9H10FNO.C6H16Si.C4HCl2N3O2.C4H10O3.C4H8O.C2HF3O.CH3I.ClH/c1-39-18-8-6-16(25(13-18)40-2)14-32-22-12-17(30)7-9-21(22)34-28-33-15-23-27(36-28)37(29(38)35-23)24-10-11-41-26-19(24)4-3-5-20(26)31;1-39-18-8-6-16(25(13-18)40-2)14-31-23-12-17(29)7-9-22(23)34-28-32-15-24(36(37)38)27(35-28)33-21-10-11-41-26-19(21)4-3-5-20(26)30;1-37-18-8-6-16(25(13-18)38-2)14-32-24-12-17(29)7-9-23(24)35-28-33-15-21(31)27(36-28)34-22-10-11-39-26-19(22)4-3-5-20(26)30;22-11-4-5-17-14(8-11)25-10-28(17)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23;21-10-4-5-14(13(23)8-10)25-19-24-9-15-18(27-19)28(20(29)26-15)16-6-7-30-17-11(16)2-1-3-12(17)22;1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17;14-13-16-6-10(19(20)21)12(18-13)17-9-4-5-22-11-7(9)2-1-3-8(11)15;10-7-3-1-2-6-8(11)4-5-12-9(6)7;1-4-7(5-2)6-3;5-3-2(9(10)11)1-7-4(6)8-3;1-5-4(6-2)7-3;1-2-4-5-3-1;3-2(4,5)1-6;1-2;/h3-9,12-13,15,24,32H,10-11,14H2,1-2H3,(H,35,38)(H,33,34,36);3-9,12-13,15,21,31H,10-11,14H2,1-2H3,(H2,32,33,34,35);3-9,12-13,15,22,32H,10-11,14,31H2,1-2H3,(H2,33,34,35,36);1-5,8-10,16H,6-7H2,(H,26,30);1-5,8-9,16H,6-7,23H2,(H,26,29)(H,24,25,27);3-8,18H,9,17H2,1-2H3;1-3,6,9H,4-5H2,(H,16,17,18);1-3,8H,4-5,11H2;7H,4-6H2,1-3H3;1H;4H,1-3H3;1-4H2;1H;1H3;1H/i;;;;;;;;;;;;;1D;
InChIKeyYMSATLHHWIJAOA-PBKIWNSBSA-N
XLogP37.91
TPSA869.92 Ų
H-Bond Donors18
H-Bond Acceptors63
Rotatable Bonds47
Heavy Atoms275
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004024.55
LogP ≤ 537.91
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride?
The IUPAC name of 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride (CID 159878475) is 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride.
What is the SMILES notation for 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride?
The canonical SMILES for 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride is C1CCOC1.CC[SiH](CC)CC.COC(OC)OC.COc1ccc(CNc2cc(F)ccc2N)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc(N)c(NC3CCOc4c(F)cccc43)n2)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc([N+](=O)[O-])c(NC3CCOc4c(F)cccc43)n2)c(OC)c1.COc1ccc(CNc2cc(F)ccc2Nc2ncc3[nH]c(=O)n(C4CCOc5c(F)cccc54)c3n2)c(OC)c1.Cl.NC1CCOc2c(F)cccc21.Nc1cc(F)ccc1Nc1ncc2[nH]c(=O)n(C3CCOc4c(F)cccc43)c2n1.O=CC(F)(F)F.O=[N+]([O-])c1cnc(Cl)nc1Cl.O=[N+]([O-])c1cnc(Cl)nc1NC1CCOc2c(F)cccc21.O=c1[nH]c2cnc(-n3cnc4cc(F)ccc43)nc2n1C1CCOc2c(F)cccc21.[2H]CI.
What is the InChIKey of 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride?
The InChIKey is YMSATLHHWIJAOA-PBKIWNSBSA-N. The full InChI is InChI=1S/C29H26F2N6O4.C28H26F2N6O5.C28H28F2N6O3.C21H14F2N6O2.C20H16F2N6O2.C15H17FN2O2.C13H10ClFN4O3.C9H10FNO.C6H16Si.C4HCl2N3O2.C4H10O3.C4H8O.C2HF3O.CH3I.ClH/c1-39-18-8-6-16(25(13-18)40-2)14-32-22-12-17(30)7-9-21(22)34-28-33-15-23-27(36-28)37(29(38)35-23)24-10-11-41-26-19(24)4-3-5-20(26)31;1-39-18-8-6-16(25(13-18)40-2)14-31-23-12-17(29)7-9-22(23)34-28-32-15-24(36(37)38)27(35-28)33-21-10-11-41-26-19(21)4-3-5-20(26)30;1-37-18-8-6-16(25(13-18)38-2)14-32-24-12-17(29)7-9-23(24)35-28-33-15-21(31)27(36-28)34-22-10-11-39-26-19(22)4-3-5-20(26)30;22-11-4-5-17-14(8-11)25-10-28(17)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23;21-10-4-5-14(13(23)8-10)25-19-24-9-15-18(27-19)28(20(29)26-15)16-6-7-30-17-11(16)2-1-3-12(17)22;1-19-12-5-3-10(15(8-12)20-2)9-18-14-7-11(16)4-6-13(14)17;14-13-16-6-10(19(20)21)12(18-13)17-9-4-5-22-11-7(9)2-1-3-8(11)15;10-7-3-1-2-6-8(11)4-5-12-9(6)7;1-4-7(5-2)6-3;5-3-2(9(10)11)1-7-4(6)8-3;1-5-4(6-2)7-3;1-2-4-5-3-1;3-2(4,5)1-6;1-2;/h3-9,12-13,15,24,32H,10-11,14H2,1-2H3,(H,35,38)(H,33,34,36);3-9,12-13,15,21,31H,10-11,14H2,1-2H3,(H2,32,33,34,35);3-9,12-13,15,22,32H,10-11,14,31H2,1-2H3,(H2,33,34,35,36);1-5,8-10,16H,6-7H2,(H,26,30);1-5,8-9,16H,6-7,23H2,(H,26,29)(H,24,25,27);3-8,18H,9,17H2,1-2H3;1-3,6,9H,4-5H2,(H,16,17,18);1-3,8H,4-5,11H2;7H,4-6H2,1-3H3;1H;4H,1-3H3;1-4H2;1H;1H3;1H/i;;;;;;;;;;;;;1D;.
What are the key properties of 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride?
2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride has a molecular weight of 4024.55 g/mol, XLogP of 37.91, 47 rotatable bonds, 18 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoroanilino)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-chloro-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidin-4-amine;deuterio(iodo)methane;2,4-dichloro-5-nitropyrimidine;2-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluoroanilino]-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-5-nitropyrimidine-2,4-diamine;2-N-[2-[(2,4-dimethoxyphenyl)methylamino]-4-fluorophenyl]-4-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-2,4,5-triamine;2-N-[(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene-1,2-diamine;2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one;8-fluoro-3,4-dihydro-2H-chromen-4-amine;oxolane;triethylsilane;2,2,2-trifluoroacetaldehyde;trimethoxymethane;hydrochloride is sourced from PubChem (CID 159878475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).