carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium

C13H21N2W9Y-5 — CID 162285134

IUPACcarbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium
SMILESCc1[c-]n[c-]nc1C.[CH-]1CCCC1.[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y]
InChIInChI=1S/C6H6N2.C5H9.2CH3.9W.Y/c1-5-3-7-4-8-6(5)2;1-2-4-5-3-1;;;;;;;;;;;;/h1-2H3;1H,2-5H2;2*1H3;;;;;;;;;;/q-2;3*-1;;;;;;;;;;
InChIKeyMFLPUGLAFZWRRC-UHFFFAOYSA-N
MW1948.79 g/mol
LogP3.33
Rot. Bonds

About carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium

carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium (PubChem CID 162285134) has the molecular formula C13H21N2W9Y-5 and a molecular weight of 1948.79 g/mol. Its IUPAC name is carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium.

Molecular Properties

Compound Namecarbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium
PubChem CID162285134
Molecular FormulaC13H21N2W9Y-5
Molecular Weight1948.79 g/mol
Exact Mass1949.64
IUPAC Namecarbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium
SMILESCc1[c-]n[c-]nc1C.[CH-]1CCCC1.[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y]
InChIInChI=1S/C6H6N2.C5H9.2CH3.9W.Y/c1-5-3-7-4-8-6(5)2;1-2-4-5-3-1;;;;;;;;;;;;/h1-2H3;1H,2-5H2;2*1H3;;;;;;;;;;/q-2;3*-1;;;;;;;;;;
InChIKeyMFLPUGLAFZWRRC-UHFFFAOYSA-N
XLogP3.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001948.79
LogP ≤ 53.33
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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Related Compounds

carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
2-Methyl-4,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-ide;yttrium
CID 59149842
carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium
CID 162285486
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium(3+)
CID 21034538

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium?
The IUPAC name of carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium (CID 162285134) is carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium.
What is the SMILES notation for carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium?
The canonical SMILES for carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium is Cc1[c-]n[c-]nc1C.[CH-]1CCCC1.[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].
What is the InChIKey of carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium?
The InChIKey is MFLPUGLAFZWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2.C5H9.2CH3.9W.Y/c1-5-3-7-4-8-6(5)2;1-2-4-5-3-1;;;;;;;;;;;;/h1-2H3;1H,2-5H2;2*1H3;;;;;;;;;;/q-2;3*-1;;;;;;;;;;.
What are the key properties of carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium?
carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium has a molecular weight of 1948.79 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;tungsten;yttrium is sourced from PubChem (CID 162285134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).