lithium 2H-pyrimidin-2-ide

C4H3LiN2 — CID 15254233

IUPAClithium 2H-pyrimidin-2-ide
SMILES[Li+].[c-]1ncccn1
InChIInChI=1S/C4H3N2.Li/c1-2-5-4-6-3-1;/h1-3H;/q-1;+1
InChIKeyANVKSFNMJWFLOI-UHFFFAOYSA-N
MW86.02 g/mol
LogP-2.72
Rot. Bonds

About lithium 2H-pyrimidin-2-ide

lithium 2H-pyrimidin-2-ide (PubChem CID 15254233) has the molecular formula C4H3LiN2 and a molecular weight of 86.02 g/mol. Its IUPAC name is lithium 2H-pyrimidin-2-ide.

Molecular Properties

Compound Namelithium 2H-pyrimidin-2-ide
PubChem CID15254233
Molecular FormulaC4H3LiN2
Molecular Weight86.02 g/mol
Exact Mass86.05
IUPAC Namelithium 2H-pyrimidin-2-ide
SMILES[Li+].[c-]1ncccn1
InChIInChI=1S/C4H3N2.Li/c1-2-5-4-6-3-1;/h1-3H;/q-1;+1
InChIKeyANVKSFNMJWFLOI-UHFFFAOYSA-N
XLogP-2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.02
LogP ≤ 5-2.72
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 lithium 2H-pyrimidin-2-ide?
The IUPAC name of lithium 2H-pyrimidin-2-ide (CID 15254233) is lithium 2H-pyrimidin-2-ide.
What is the SMILES notation for lithium 2H-pyrimidin-2-ide?
The canonical SMILES for lithium 2H-pyrimidin-2-ide is [Li+].[c-]1ncccn1.
What is the InChIKey of lithium 2H-pyrimidin-2-ide?
The InChIKey is ANVKSFNMJWFLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N2.Li/c1-2-5-4-6-3-1;/h1-3H;/q-1;+1.
What are the key properties of lithium 2H-pyrimidin-2-ide?
lithium 2H-pyrimidin-2-ide has a molecular weight of 86.02 g/mol, XLogP of -2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2H-pyrimidin-2-ide is sourced from PubChem (CID 15254233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).