2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum

C22H18F2N5OPt- — CID 59399296

IUPAC2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum
SMILESCC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(C2(O)N=CCC=N2)n1.[Pt]
InChIInChI=1S/C22H18F2N5O.Pt/c1-21(2,17-8-4-9-18(28-17)22(30)25-12-5-13-26-22)16-7-3-6-15(27-16)14-10-11-19(23)29-20(14)24;/h3-4,6-9,11-13,30H,5H2,1-2H3;/q-1;
InChIKeySXPWAHNXYMGSNI-UHFFFAOYSA-N
MW601.49 g/mol
LogP3.59
Rot. Bonds4

About 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum

2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum (PubChem CID 59399296) has the molecular formula C22H18F2N5OPt- and a molecular weight of 601.49 g/mol. Its IUPAC name is 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum.

Molecular Properties

Compound Name2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum
PubChem CID59399296
Molecular FormulaC22H18F2N5OPt-
Molecular Weight601.49 g/mol
Exact Mass601.11
IUPAC Name2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum
SMILESCC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(C2(O)N=CCC=N2)n1.[Pt]
InChIInChI=1S/C22H18F2N5O.Pt/c1-21(2,17-8-4-9-18(28-17)22(30)25-12-5-13-26-22)16-7-3-6-15(27-16)14-10-11-19(23)29-20(14)24;/h3-4,6-9,11-13,30H,5H2,1-2H3;/q-1;
InChIKeySXPWAHNXYMGSNI-UHFFFAOYSA-N
XLogP3.59
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum?
The IUPAC name of 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum (CID 59399296) is 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum.
What is the SMILES notation for 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum?
The canonical SMILES for 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum is CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(C2(O)N=CCC=N2)n1.[Pt].
What is the InChIKey of 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum?
The InChIKey is SXPWAHNXYMGSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N5O.Pt/c1-21(2,17-8-4-9-18(28-17)22(30)25-12-5-13-26-22)16-7-3-6-15(27-16)14-10-11-19(23)29-20(14)24;/h3-4,6-9,11-13,30H,5H2,1-2H3;/q-1;.
What are the key properties of 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum?
2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum has a molecular weight of 601.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-2-ol;platinum is sourced from PubChem (CID 59399296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).