1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione

C103H103N17O30 — CID 158614385

IUPAC1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cc(-c2ccccn2)ccn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cc(-c2ccncc2)ccn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)cn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)n1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncccc1-c1ccccc1
InChIInChI=1S/3C21H21N3O6.2C20H20N4O6/c25-12-16-18(27)19(28)20(30-16)23-10-8-17(26)24(21(23)29)11-15-14(7-4-9-22-15)13-5-2-1-3-6-13;25-12-16-18(27)19(28)20(30-16)23-10-9-17(26)24(21(23)29)11-14-7-4-8-15(22-14)13-5-2-1-3-6-13;25-12-16-18(27)19(28)20(30-16)23-9-8-17(26)24(21(23)29)11-15-7-6-14(10-22-15)13-4-2-1-3-5-13;25-11-15-17(27)18(28)19(30-15)23-8-4-16(26)24(20(23)29)10-14-9-13(3-7-22-14)12-1-5-21-6-2-12;25-11-15-17(27)18(28)19(30-15)23-8-5-16(26)24(20(23)29)10-13-9-12(4-7-21-13)14-3-1-2-6-22-14/h3*1-10,16,18-20,25,27-28H,11-12H2;2*1-9,15,17-19,25,27-28H,10-11H2/t3*16-,18?,19?,20-;2*15-,17?,18?,19-/m11111/s1
InChIKeyHXFFICMODWBWRZ-QSVKEZFBSA-N
MW2059.05 g/mol
LogP-2.55
Rot. Bonds25

About 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione

1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione (PubChem CID 158614385) has the molecular formula C103H103N17O30 and a molecular weight of 2059.05 g/mol. Its IUPAC name is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione
PubChem CID158614385
Molecular FormulaC103H103N17O30
Molecular Weight2059.05 g/mol
Exact Mass2057.71
IUPAC Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cc(-c2ccccn2)ccn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cc(-c2ccncc2)ccn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)cn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)n1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncccc1-c1ccccc1
InChIInChI=1S/3C21H21N3O6.2C20H20N4O6/c25-12-16-18(27)19(28)20(30-16)23-10-8-17(26)24(21(23)29)11-15-14(7-4-9-22-15)13-5-2-1-3-6-13;25-12-16-18(27)19(28)20(30-16)23-10-9-17(26)24(21(23)29)11-14-7-4-8-15(22-14)13-5-2-1-3-6-13;25-12-16-18(27)19(28)20(30-16)23-9-8-17(26)24(21(23)29)11-15-7-6-14(10-22-15)13-4-2-1-3-5-13;25-11-15-17(27)18(28)19(30-15)23-8-4-16(26)24(20(23)29)10-14-9-13(3-7-22-14)12-1-5-21-6-2-12;25-11-15-17(27)18(28)19(30-15)23-8-5-16(26)24(20(23)29)10-13-9-12(4-7-21-13)14-3-1-2-6-22-14/h3*1-10,16,18-20,25,27-28H,11-12H2;2*1-9,15,17-19,25,27-28H,10-11H2/t3*16-,18?,19?,20-;2*15-,17?,18?,19-/m11111/s1
InChIKeyHXFFICMODWBWRZ-QSVKEZFBSA-N
XLogP-2.55
TPSA659.83 Ų
H-Bond Donors15
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms150
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.05
LogP ≤ 5-2.55
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1047

Analyze 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione (CID 158614385) is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cc(-c2ccccn2)ccn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cc(-c2ccncc2)ccn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)cn1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)n1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncccc1-c1ccccc1.
What is the InChIKey of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The InChIKey is HXFFICMODWBWRZ-QSVKEZFBSA-N. The full InChI is InChI=1S/3C21H21N3O6.2C20H20N4O6/c25-12-16-18(27)19(28)20(30-16)23-10-8-17(26)24(21(23)29)11-15-14(7-4-9-22-15)13-5-2-1-3-6-13;25-12-16-18(27)19(28)20(30-16)23-10-9-17(26)24(21(23)29)11-14-7-4-8-15(22-14)13-5-2-1-3-6-13;25-12-16-18(27)19(28)20(30-16)23-9-8-17(26)24(21(23)29)11-15-7-6-14(10-22-15)13-4-2-1-3-5-13;25-11-15-17(27)18(28)19(30-15)23-8-4-16(26)24(20(23)29)10-14-9-13(3-7-22-14)12-1-5-21-6-2-12;25-11-15-17(27)18(28)19(30-15)23-8-5-16(26)24(20(23)29)10-13-9-12(4-7-21-13)14-3-1-2-6-22-14/h3*1-10,16,18-20,25,27-28H,11-12H2;2*1-9,15,17-19,25,27-28H,10-11H2/t3*16-,18?,19?,20-;2*15-,17?,18?,19-/m11111/s1.
What are the key properties of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione has a molecular weight of 2059.05 g/mol, XLogP of -2.55, 25 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 158614385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).