5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)

C8H11N2Rb — CID 59985775

IUPAC5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)
SMILESCC(C)(C)c1cn[c-]nc1.[Rb+]
InChIInChI=1S/C8H11N2.Rb/c1-8(2,3)7-4-9-6-10-5-7;/h4-5H,1-3H3;/q-1;+1
InChIKeyOFQCRYIARYLLPU-UHFFFAOYSA-N
MW220.66 g/mol
LogP-1.42
Rot. Bonds

About 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)

5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+) (PubChem CID 59985775) has the molecular formula C8H11N2Rb and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+).

Molecular Properties

Compound Name5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)
PubChem CID59985775
Molecular FormulaC8H11N2Rb
Molecular Weight220.66 g/mol
Exact Mass220.00
IUPAC Name5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)
SMILESCC(C)(C)c1cn[c-]nc1.[Rb+]
InChIInChI=1S/C8H11N2.Rb/c1-8(2,3)7-4-9-6-10-5-7;/h4-5H,1-3H3;/q-1;+1
InChIKeyOFQCRYIARYLLPU-UHFFFAOYSA-N
XLogP-1.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)?
The IUPAC name of 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+) (CID 59985775) is 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+).
What is the SMILES notation for 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)?
The canonical SMILES for 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+) is CC(C)(C)c1cn[c-]nc1.[Rb+].
What is the InChIKey of 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)?
The InChIKey is OFQCRYIARYLLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2.Rb/c1-8(2,3)7-4-9-6-10-5-7;/h4-5H,1-3H3;/q-1;+1.
What are the key properties of 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)?
5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+) has a molecular weight of 220.66 g/mol, XLogP of -1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+) is sourced from PubChem (CID 59985775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).