5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide

C78H89IN6O17 — CID 158517024

IUPAC5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide
SMILESCC(C)CCC(=O)O.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C#CCN)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C#CCNC(=O)CCC(C)C)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.I
InChIInChI=1S/C39H43N3O8.C33H33N3O7.C6H12O2.HI/c1-26(2)12-21-35(44)40-22-8-9-27-24-42(38(46)41-37(27)45)36-23-33(43)34(50-36)25-49-39(28-10-6-5-7-11-28,29-13-17-31(47-3)18-14-29)30-15-19-32(48-4)20-16-30;1-40-26-14-10-24(11-15-26)33(23-8-4-3-5-9-23,25-12-16-27(41-2)17-13-25)42-21-29-28(37)19-30(43-29)36-20-22(7-6-18-34)31(38)35-32(36)39;1-5(2)3-4-6(7)8;/h5-7,10-11,13-20,24,26,33-34,36,43H,12,21-23,25H2,1-4H3,(H,40,44)(H,41,45,46);3-5,8-17,20,28-30,37H,18-19,21,34H2,1-2H3,(H,35,38,39);5H,3-4H2,1-2H3,(H,7,8);1H/t33-,34-,36-;28-,29-,30-;;/m11../s1
InChIKeyFKWZSWSZNDDURO-XVPCTBRBSA-N
MW1509.50 g/mol
LogP8.76
Rot. Bonds25

About 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide

5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide (PubChem CID 158517024) has the molecular formula C78H89IN6O17 and a molecular weight of 1509.50 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide
PubChem CID158517024
Molecular FormulaC78H89IN6O17
Molecular Weight1509.50 g/mol
Exact Mass1508.53
IUPAC Name5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide
SMILESCC(C)CCC(=O)O.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C#CCN)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C#CCNC(=O)CCC(C)C)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.I
InChIInChI=1S/C39H43N3O8.C33H33N3O7.C6H12O2.HI/c1-26(2)12-21-35(44)40-22-8-9-27-24-42(38(46)41-37(27)45)36-23-33(43)34(50-36)25-49-39(28-10-6-5-7-11-28,29-13-17-31(47-3)18-14-29)30-15-19-32(48-4)20-16-30;1-40-26-14-10-24(11-15-26)33(23-8-4-3-5-9-23,25-12-16-27(41-2)17-13-25)42-21-29-28(37)19-30(43-29)36-20-22(7-6-18-34)31(38)35-32(36)39;1-5(2)3-4-6(7)8;/h5-7,10-11,13-20,24,26,33-34,36,43H,12,21-23,25H2,1-4H3,(H,40,44)(H,41,45,46);3-5,8-17,20,28-30,37H,18-19,21,34H2,1-2H3,(H,35,38,39);5H,3-4H2,1-2H3,(H,7,8);1H/t33-,34-,36-;28-,29-,30-;;/m11../s1
InChIKeyFKWZSWSZNDDURO-XVPCTBRBSA-N
XLogP8.76
TPSA316.44 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001509.50
LogP ≤ 58.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide 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

N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide
CID 59386160
1-[(2R,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7072407
1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 172642391
N-[3-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-3-(2,4,5-trimethylphenyl)propanamide
CID 23405130
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(dimethylamino)pyrimidine-2,4-dione
CID 57332429
(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
CID 10941041
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2,2,2-trifluoroacetamide
CID 102518731
5-(3-amino-5,5,5-trifluoro-4-oxopentyl)-1-[(2S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70292556
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(9,10-dioxoanthracen-2-yl)pyrimidine-2,4-dione
CID 25228274
[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-[5-[3-(4-methylpentanoylamino)prop-1-ynyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate
CID 59386149
N-[3-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propyl]-2,2,2-trifluoroacetamide
CID 22869145
N-[3-[1-[(2S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]-2,2,2-trifluoroacetamide
CID 91575958

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide (CID 158517024) is 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide is CC(C)CCC(=O)O.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C#CCN)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C#CCNC(=O)CCC(C)C)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.I.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide?
The InChIKey is FKWZSWSZNDDURO-XVPCTBRBSA-N. The full InChI is InChI=1S/C39H43N3O8.C33H33N3O7.C6H12O2.HI/c1-26(2)12-21-35(44)40-22-8-9-27-24-42(38(46)41-37(27)45)36-23-33(43)34(50-36)25-49-39(28-10-6-5-7-11-28,29-13-17-31(47-3)18-14-29)30-15-19-32(48-4)20-16-30;1-40-26-14-10-24(11-15-26)33(23-8-4-3-5-9-23,25-12-16-27(41-2)17-13-25)42-21-29-28(37)19-30(43-29)36-20-22(7-6-18-34)31(38)35-32(36)39;1-5(2)3-4-6(7)8;/h5-7,10-11,13-20,24,26,33-34,36,43H,12,21-23,25H2,1-4H3,(H,40,44)(H,41,45,46);3-5,8-17,20,28-30,37H,18-19,21,34H2,1-2H3,(H,35,38,39);5H,3-4H2,1-2H3,(H,7,8);1H/t33-,34-,36-;28-,29-,30-;;/m11../s1.
What are the key properties of 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide?
5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide has a molecular weight of 1509.50 g/mol, XLogP of 8.76, 25 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;N-[3-[1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-4-methylpentanamide;4-methylpentanoic acid;hydroiodide is sourced from PubChem (CID 158517024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).