platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol

C20H13N4OPtS- — CID 153280473

IUPACplatinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
SMILESOc1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)ncn1.[Pt]
InChIInChI=1S/C20H13N4OS.Pt/c25-18-8-2-1-6-14(18)16-12-17(23-13-22-16)15-7-5-10-20(24-15)26-19-9-3-4-11-21-19;/h1-11,13,25H;/q-1;
InChIKeySPINAKCWEBKCGH-UHFFFAOYSA-N
MW552.50 g/mol
LogP4.26
Rot. Bonds4

About platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol

platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol (PubChem CID 153280473) has the molecular formula C20H13N4OPtS- and a molecular weight of 552.50 g/mol. Its IUPAC name is platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol.

Molecular Properties

Compound Nameplatinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
PubChem CID153280473
Molecular FormulaC20H13N4OPtS-
Molecular Weight552.50 g/mol
Exact Mass552.05
IUPAC Nameplatinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
SMILESOc1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)ncn1.[Pt]
InChIInChI=1S/C20H13N4OS.Pt/c25-18-8-2-1-6-14(18)16-12-17(23-13-22-16)15-7-5-10-20(24-15)26-19-9-3-4-11-21-19;/h1-11,13,25H;/q-1;
InChIKeySPINAKCWEBKCGH-UHFFFAOYSA-N
XLogP4.26
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
CID 153280455
2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
CID 153280568
platinum;2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-2-pyridinyl]phenol
CID 153304165
platinum;2-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)pyrimidin-4-yl]phenol
CID 153280573
platinum;2-[4-(6-pyridin-2-yloxy-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol
CID 153280343
2-fluoro-6-pyridin-2-ylsulfanylpyridine
CID 61228221
2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
CID 58871037
platinum;6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)sulfanylpyridine-2-sulfinic acid
CID 58709005
2-[2-phenyl-5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]benzenethiol
CID 153280367
2-pyridin-2-ylphenol;hydrate
CID 175244966
platinum;2-[4-[6-(N-pyridin-2-ylanilino)-2-pyridinyl]-3H-pyridin-3-id-2-yl]phenol
CID 153280501
2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)pyrimidin-2-yl]phenol;platinum
CID 153280348

Frequently Asked Questions

What is the IUPAC name of platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol?
The IUPAC name of platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol (CID 153280473) is platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol.
What is the SMILES notation for platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol?
The canonical SMILES for platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol is Oc1ccccc1-c1[c-]c(-c2cccc(Sc3ccccn3)n2)ncn1.[Pt].
What is the InChIKey of platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol?
The InChIKey is SPINAKCWEBKCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N4OS.Pt/c25-18-8-2-1-6-14(18)16-12-17(23-13-22-16)15-7-5-10-20(24-15)26-19-9-3-4-11-21-19;/h1-11,13,25H;/q-1;.
What are the key properties of platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol?
platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol has a molecular weight of 552.50 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol is sourced from PubChem (CID 153280473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).