4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine

C39H42F2N20O9PtS2 — CID 174844073

About 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine

4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine (PubChem CID 174844073) has the molecular formula C39H42F2N20O9PtS2 and a molecular weight of 1232.10 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine
• PubChem CID: 174844073
• Molecular Formula: C39H42F2N20O9PtS2
• Molecular Weight: 1232.10 g/mol
• Exact Mass: 1231.25
• IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine
• SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.Nc1nc(=S)c2[nH]cnc2[nH]1.Sn1cnc2cncnc21.[Pt]
• InChI: InChI=1S/C20H22N8O5.C9H11F2N3O4.C5H5N5S.C5H4N4S.Pt/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;6-5-9-3-2(4(11)10-5)7-1-8-3;10-9-3-8-4-1-6-2-7-5(4)9;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H,(H4,6,7,8,9,10,11);1-3,10H;/t13-;4-,6-,7-;;;/m01.../s1
• InChIKey: OCSJIROSPLPTMB-ATAPSRJMSA-N
• XLogP: 0.09
• TPSA: 448.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1232.10
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine?

The IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine (CID 174844073) is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine.

What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine?

The canonical SMILES for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine is CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.Nc1nc(=S)c2[nH]cnc2[nH]1.Sn1cnc2cncnc21.[Pt].

What is the InChIKey of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine?

The InChIKey is OCSJIROSPLPTMB-ATAPSRJMSA-N. The full InChI is InChI=1S/C20H22N8O5.C9H11F2N3O4.C5H5N5S.C5H4N4S.Pt/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;6-5-9-3-2(4(11)10-5)7-1-8-3;10-9-3-8-4-1-6-2-7-5(4)9;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H,(H4,6,7,8,9,10,11);1-3,10H;/t13-;4-,6-,7-;;;/m01.../s1.

What are the key properties of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine?

4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine has a molecular weight of 1232.10 g/mol, XLogP of 0.09, 11 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;platinum;9-sulfanylpurine is sourced from PubChem (CID 174844073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).