carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium

C9H12N2O3VY-2 — CID 59830268

IUPACcarbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium
SMILESCCOC(=O)Cn1cnc[c-]c1=O.[CH3-].[V].[Y]
InChIInChI=1S/C8H9N2O3.CH3.V.Y/c1-2-13-8(12)5-10-6-9-4-3-7(10)11;;;/h4,6H,2,5H2,1H3;1H3;;/q2*-1;;
InChIKeyQLBGLEMBFGNWLZ-UHFFFAOYSA-N
MW336.06 g/mol
LogP0.05
Rot. Bonds3

About carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium

carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium (PubChem CID 59830268) has the molecular formula C9H12N2O3VY-2 and a molecular weight of 336.06 g/mol. Its IUPAC name is carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium.

Molecular Properties

Compound Namecarbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium
PubChem CID59830268
Molecular FormulaC9H12N2O3VY-2
Molecular Weight336.06 g/mol
Exact Mass335.94
IUPAC Namecarbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium
SMILESCCOC(=O)Cn1cnc[c-]c1=O.[CH3-].[V].[Y]
InChIInChI=1S/C8H9N2O3.CH3.V.Y/c1-2-13-8(12)5-10-6-9-4-3-7(10)11;;;/h4,6H,2,5H2,1H3;1H3;;/q2*-1;;
InChIKeyQLBGLEMBFGNWLZ-UHFFFAOYSA-N
XLogP0.05
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.06
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium?
The IUPAC name of carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium (CID 59830268) is carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium.
What is the SMILES notation for carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium?
The canonical SMILES for carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium is CCOC(=O)Cn1cnc[c-]c1=O.[CH3-].[V].[Y].
What is the InChIKey of carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium?
The InChIKey is QLBGLEMBFGNWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O3.CH3.V.Y/c1-2-13-8(12)5-10-6-9-4-3-7(10)11;;;/h4,6H,2,5H2,1H3;1H3;;/q2*-1;;.
What are the key properties of carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium?
carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium has a molecular weight of 336.06 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethyl 2-(6-oxo-5H-pyrimidin-5-id-1-yl)acetate;vanadium;yttrium is sourced from PubChem (CID 59830268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).