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;3,7-dihydropurine-6-thione;platinum

C19H20F2N12O4PtS2 — CID 174928978

IUPAC4-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;3,7-dihydropurine-6-thione;platinum
SMILESNc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.Nc1nc(=S)c2[nH]cnc2[nH]1.S=c1nc[nH]c2nc[nH]c12.[Pt]
InChIInChI=1S/C9H11F2N3O4.C5H5N5S.C5H4N4S.Pt/c10-9(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;10-5-3-4(7-1-6-3)8-2-9-5;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10);/t4-,6-,7-;;;/m1.../s1
InChIKeyPFQOUVLNNGDQOX-RBECAVKOSA-N
MW777.66 g/mol
LogP0.32
Rot. Bonds2

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;3,7-dihydropurine-6-thione;platinum

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;3,7-dihydropurine-6-thione;platinum (PubChem CID 174928978) has the molecular formula C19H20F2N12O4PtS2 and a molecular weight of 777.66 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;3,7-dihydropurine-6-thione;platinum.

Molecular Properties

Compound Name4-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;3,7-dihydropurine-6-thione;platinum
PubChem CID174928978
Molecular FormulaC19H20F2N12O4PtS2
Molecular Weight777.66 g/mol
Exact Mass777.08
IUPAC Name4-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;3,7-dihydropurine-6-thione;platinum
SMILESNc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.Nc1nc(=S)c2[nH]cnc2[nH]1.S=c1nc[nH]c2nc[nH]c12.[Pt]
InChIInChI=1S/C9H11F2N3O4.C5H5N5S.C5H4N4S.Pt/c10-9(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;10-5-3-4(7-1-6-3)8-2-9-5;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10);/t4-,6-,7-;;;/m1.../s1
InChIKeyPFQOUVLNNGDQOX-RBECAVKOSA-N
XLogP0.32
TPSA251.34 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.66
LogP ≤ 50.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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;3,7-dihydropurine-6-thione;platinum with MolForge

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Related Compounds

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;3,7-dihydropurine-6-thione;methanamine
CID 174893652
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635
potassium;4-amino-1-[(4S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;carbanide
CID 156727396
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
4-amino-1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 58364591
4-amino-1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one
CID 158144637
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
4-amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 160988595
4-amino-1-[(2R,4R,5R)-3,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54511500

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;3,7-dihydropurine-6-thione;platinum?
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;3,7-dihydropurine-6-thione;platinum (CID 174928978) 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;3,7-dihydropurine-6-thione;platinum.
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;3,7-dihydropurine-6-thione;platinum?
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;3,7-dihydropurine-6-thione;platinum is Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.Nc1nc(=S)c2[nH]cnc2[nH]1.S=c1nc[nH]c2nc[nH]c12.[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;3,7-dihydropurine-6-thione;platinum?
The InChIKey is PFQOUVLNNGDQOX-RBECAVKOSA-N. The full InChI is InChI=1S/C9H11F2N3O4.C5H5N5S.C5H4N4S.Pt/c10-9(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;10-5-3-4(7-1-6-3)8-2-9-5;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10);/t4-,6-,7-;;;/m1.../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;3,7-dihydropurine-6-thione;platinum?
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;3,7-dihydropurine-6-thione;platinum has a molecular weight of 777.66 g/mol, XLogP of 0.32, 2 rotatable bonds, 8 hydrogen bond donors, and 14 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;3,7-dihydropurine-6-thione;platinum is sourced from PubChem (CID 174928978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).