2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten

C11H9N3RbW- — CID 59443306

IUPAC2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten
SMILESCc1n[c-]c(C)c(-c2c[c-]ncc2)n1.[Rb+].[W]
InChIInChI=1S/C11H9N3.Rb.W/c1-8-7-13-9(2)14-11(8)10-3-5-12-6-4-10;;/h3-5H,1-2H3;;/q-2;+1;
InChIKeyHACDCAZNXVJPOL-UHFFFAOYSA-N
MW452.52 g/mol
LogP-1.24
Rot. Bonds1

About 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten

2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten (PubChem CID 59443306) has the molecular formula C11H9N3RbW- and a molecular weight of 452.52 g/mol. Its IUPAC name is 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten.

Molecular Properties

Compound Name2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten
PubChem CID59443306
Molecular FormulaC11H9N3RbW-
Molecular Weight452.52 g/mol
Exact Mass451.94
IUPAC Name2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten
SMILESCc1n[c-]c(C)c(-c2c[c-]ncc2)n1.[Rb+].[W]
InChIInChI=1S/C11H9N3.Rb.W/c1-8-7-13-9(2)14-11(8)10-3-5-12-6-4-10;;/h3-5H,1-2H3;;/q-2;+1;
InChIKeyHACDCAZNXVJPOL-UHFFFAOYSA-N
XLogP-1.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten?
The IUPAC name of 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten (CID 59443306) is 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten.
What is the SMILES notation for 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten?
The canonical SMILES for 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten is Cc1n[c-]c(C)c(-c2c[c-]ncc2)n1.[Rb+].[W].
What is the InChIKey of 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten?
The InChIKey is HACDCAZNXVJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.Rb.W/c1-8-7-13-9(2)14-11(8)10-3-5-12-6-4-10;;/h3-5H,1-2H3;;/q-2;+1;.
What are the key properties of 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten?
2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten has a molecular weight of 452.52 g/mol, XLogP of -1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(2H-pyridin-2-id-4-yl)-4H-pyrimidin-4-ide;rubidium(1+);tungsten is sourced from PubChem (CID 59443306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).