4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide

C123H175N20O29PSi4 — CID 159906411

IUPAC4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCC(C)[C@@]12CO[C@@H]([C@H](n3ccc(-n4cncn4)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(N)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O1)[C@@H]2O.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.[C-]#[N+]CCOP(C)O[C@H]1[C@H]2OC[C@]1(C(C)C)O[C@H]2n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C25H35N3O5Si.C23H27N4O6P.C20H31N5O4Si.C19H21N3O5.C18H31N3O4Si.C18H30N2O5Si/c1-16(2)25-15-31-19(20(25)33-34(6,7)24(3,4)5)22(32-25)28-14-13-18(27-23(28)30)26-21(29)17-11-9-8-10-12-17;1-15(2)23-14-30-18(19(23)33-34(4)31-13-11-24-3)21(32-23)27-12-10-17(26-22(27)29)25-20(28)16-8-6-5-7-9-16;1-13(2)20-10-27-15(16(20)29-30(6,7)19(3,4)5)17(28-20)24-9-8-14(23-18(24)26)25-12-21-11-22-25;1-11(2)19-10-26-14(15(19)23)17(27-19)22-9-8-13(21-18(22)25)20-16(24)12-6-4-3-5-7-12;1-11(2)18-10-23-13(14(18)25-26(6,7)17(3,4)5)15(24-18)21-9-8-12(19)20-16(21)22;1-11(2)18-10-23-13(14(18)25-26(6,7)17(3,4)5)15(24-18)20-9-8-12(21)19-16(20)22/h8-14,16,19-20,22H,15H2,1-7H3,(H,26,27,29,30);5-10,12,15,18-19,21H,11,13-14H2,1-2,4H3,(H,25,26,28,29);8-9,11-13,15-17H,10H2,1-7H3;3-9,11,14-15,17,23H,10H2,1-2H3,(H,20,21,24,25);8-9,11,13-15H,10H2,1-7H3,(H2,19,20,22);8-9,11,13-15H,10H2,1-7H3,(H,19,21,22)/t19-,20-,22-,25-;18-,19+,21-,23-,34?;15-,16-,17-,20-;14-,15+,17-,19-;2*13-,14-,15-,18-/m111111/s1
InChIKeyNWQAOFSYNARGMB-ZQJCZWOSSA-N
MW2541.18 g/mol
LogP15.79
Rot. Bonds32

About 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide

4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 159906411) has the molecular formula C123H175N20O29PSi4 and a molecular weight of 2541.18 g/mol. Its IUPAC name is 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID159906411
Molecular FormulaC123H175N20O29PSi4
Molecular Weight2541.18 g/mol
Exact Mass2539.16
IUPAC Name4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCC(C)[C@@]12CO[C@@H]([C@H](n3ccc(-n4cncn4)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(N)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O1)[C@@H]2O.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.[C-]#[N+]CCOP(C)O[C@H]1[C@H]2OC[C@]1(C(C)C)O[C@H]2n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C25H35N3O5Si.C23H27N4O6P.C20H31N5O4Si.C19H21N3O5.C18H31N3O4Si.C18H30N2O5Si/c1-16(2)25-15-31-19(20(25)33-34(6,7)24(3,4)5)22(32-25)28-14-13-18(27-23(28)30)26-21(29)17-11-9-8-10-12-17;1-15(2)23-14-30-18(19(23)33-34(4)31-13-11-24-3)21(32-23)27-12-10-17(26-22(27)29)25-20(28)16-8-6-5-7-9-16;1-13(2)20-10-27-15(16(20)29-30(6,7)19(3,4)5)17(28-20)24-9-8-14(23-18(24)26)25-12-21-11-22-25;1-11(2)19-10-26-14(15(19)23)17(27-19)22-9-8-13(21-18(22)25)20-16(24)12-6-4-3-5-7-12;1-11(2)18-10-23-13(14(18)25-26(6,7)17(3,4)5)15(24-18)21-9-8-12(19)20-16(21)22;1-11(2)18-10-23-13(14(18)25-26(6,7)17(3,4)5)15(24-18)20-9-8-12(21)19-16(20)22/h8-14,16,19-20,22H,15H2,1-7H3,(H,26,27,29,30);5-10,12,15,18-19,21H,11,13-14H2,1-2,4H3,(H,25,26,28,29);8-9,11-13,15-17H,10H2,1-7H3;3-9,11,14-15,17,23H,10H2,1-2H3,(H,20,21,24,25);8-9,11,13-15H,10H2,1-7H3,(H2,19,20,22);8-9,11,13-15H,10H2,1-7H3,(H,19,21,22)/t19-,20-,22-,25-;18-,19+,21-,23-,34?;15-,16-,17-,20-;14-,15+,17-,19-;2*13-,14-,15-,18-/m111111/s1
InChIKeyNWQAOFSYNARGMB-ZQJCZWOSSA-N
XLogP15.79
TPSA564.07 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002541.18
LogP ≤ 515.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide 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 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide (CID 159906411) is 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide is CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(-n4cncn4)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(N)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O1)[C@@H]2O.CC(C)[C@@]12CO[C@@H]([C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O1)[C@H]2O[Si](C)(C)C(C)(C)C.[C-]#[N+]CCOP(C)O[C@H]1[C@H]2OC[C@]1(C(C)C)O[C@H]2n1ccc(NC(=O)c2ccccc2)nc1=O.
What is the InChIKey of 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is NWQAOFSYNARGMB-ZQJCZWOSSA-N. The full InChI is InChI=1S/C25H35N3O5Si.C23H27N4O6P.C20H31N5O4Si.C19H21N3O5.C18H31N3O4Si.C18H30N2O5Si/c1-16(2)25-15-31-19(20(25)33-34(6,7)24(3,4)5)22(32-25)28-14-13-18(27-23(28)30)26-21(29)17-11-9-8-10-12-17;1-15(2)23-14-30-18(19(23)33-34(4)31-13-11-24-3)21(32-23)27-12-10-17(26-22(27)29)25-20(28)16-8-6-5-7-9-16;1-13(2)20-10-27-15(16(20)29-30(6,7)19(3,4)5)17(28-20)24-9-8-14(23-18(24)26)25-12-21-11-22-25;1-11(2)19-10-26-14(15(19)23)17(27-19)22-9-8-13(21-18(22)25)20-16(24)12-6-4-3-5-7-12;1-11(2)18-10-23-13(14(18)25-26(6,7)17(3,4)5)15(24-18)21-9-8-12(19)20-16(21)22;1-11(2)18-10-23-13(14(18)25-26(6,7)17(3,4)5)15(24-18)20-9-8-12(21)19-16(20)22/h8-14,16,19-20,22H,15H2,1-7H3,(H,26,27,29,30);5-10,12,15,18-19,21H,11,13-14H2,1-2,4H3,(H,25,26,28,29);8-9,11-13,15-17H,10H2,1-7H3;3-9,11,14-15,17,23H,10H2,1-2H3,(H,20,21,24,25);8-9,11,13-15H,10H2,1-7H3,(H2,19,20,22);8-9,11,13-15H,10H2,1-7H3,(H,19,21,22)/t19-,20-,22-,25-;18-,19+,21-,23-,34?;15-,16-,17-,20-;14-,15+,17-,19-;2*13-,14-,15-,18-/m111111/s1.
What are the key properties of 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide?
4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 2541.18 g/mol, XLogP of 15.79, 32 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one;N-[1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione;1-[(1S,3R,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one;N-[1-[(1S,3R,4R,7S)-7-hydroxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(1S,3R,4R,7S)-7-[2-isocyanoethoxy(methyl)phosphanyl]oxy-1-propan-2-yl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 159906411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).