propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)

C10H16N2V — CID 58748049

IUPACpropane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)
SMILESCC(C)c1n[c-]ccn1.C[CH-]C.[V+2]
InChIInChI=1S/C7H9N2.C3H7.V/c1-6(2)7-8-4-3-5-9-7;1-3-2;/h3-4,6H,1-2H3;3H,1-2H3;/q2*-1;+2
InChIKeyUBIYTQCVADVHKN-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.63
Rot. Bonds1

About propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)

propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+) (PubChem CID 58748049) has the molecular formula C10H16N2V and a molecular weight of 215.20 g/mol. Its IUPAC name is propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+).

Molecular Properties

Compound Namepropane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)
PubChem CID58748049
Molecular FormulaC10H16N2V
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namepropane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)
SMILESCC(C)c1n[c-]ccn1.C[CH-]C.[V+2]
InChIInChI=1S/C7H9N2.C3H7.V/c1-6(2)7-8-4-3-5-9-7;1-3-2;/h3-4,6H,1-2H3;3H,1-2H3;/q2*-1;+2
InChIKeyUBIYTQCVADVHKN-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)?
The IUPAC name of propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+) (CID 58748049) is propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+).
What is the SMILES notation for propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)?
The canonical SMILES for propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+) is CC(C)c1n[c-]ccn1.C[CH-]C.[V+2].
What is the InChIKey of propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)?
The InChIKey is UBIYTQCVADVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2.C3H7.V/c1-6(2)7-8-4-3-5-9-7;1-3-2;/h3-4,6H,1-2H3;3H,1-2H3;/q2*-1;+2.
What are the key properties of propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+)?
propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+) has a molecular weight of 215.20 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2-propan-2-yl-4H-pyrimidin-4-ide;vanadium(2+) is sourced from PubChem (CID 58748049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).