carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium

C12H18N2W10Y-6 — CID 162285486

IUPACcarbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium
SMILESCc1[c-]n[c-]n[c-]1.[CH-]1CCCC1.[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y]
InChIInChI=1S/C5H3N2.C5H9.2CH3.10W.Y/c1-5-2-6-4-7-3-5;1-2-4-5-3-1;;;;;;;;;;;;;/h1H3;1H,2-5H2;2*1H3;;;;;;;;;;;/q-3;3*-1;;;;;;;;;;;
InChIKeyJQDOCYJKJFMSKA-UHFFFAOYSA-N
MW2117.60 g/mol
LogP2.82
Rot. Bonds

About carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium

carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium (PubChem CID 162285486) has the molecular formula C12H18N2W10Y-6 and a molecular weight of 2117.60 g/mol. Its IUPAC name is carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium.

Molecular Properties

Compound Namecarbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium
PubChem CID162285486
Molecular FormulaC12H18N2W10Y-6
Molecular Weight2117.60 g/mol
Exact Mass2118.57
IUPAC Namecarbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium
SMILESCc1[c-]n[c-]n[c-]1.[CH-]1CCCC1.[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y]
InChIInChI=1S/C5H3N2.C5H9.2CH3.10W.Y/c1-5-2-6-4-7-3-5;1-2-4-5-3-1;;;;;;;;;;;;;/h1H3;1H,2-5H2;2*1H3;;;;;;;;;;;/q-3;3*-1;;;;;;;;;;;
InChIKeyJQDOCYJKJFMSKA-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002117.60
LogP ≤ 52.82
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 carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium?
The IUPAC name of carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium (CID 162285486) is carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium.
What is the SMILES notation for carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium?
The canonical SMILES for carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium is Cc1[c-]n[c-]n[c-]1.[CH-]1CCCC1.[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].
What is the InChIKey of carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium?
The InChIKey is JQDOCYJKJFMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N2.C5H9.2CH3.10W.Y/c1-5-2-6-4-7-3-5;1-2-4-5-3-1;;;;;;;;;;;;;/h1H3;1H,2-5H2;2*1H3;;;;;;;;;;;/q-3;3*-1;;;;;;;;;;;.
What are the key properties of carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium?
carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium has a molecular weight of 2117.60 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tungsten;yttrium is sourced from PubChem (CID 162285486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).