lithium 2-methyl-5H-pyrimidin-5-ide

C5H5LiN2 — CID 165394783

IUPAClithium 2-methyl-5H-pyrimidin-5-ide
SMILESCc1nc[c-]cn1.[Li+]
InChIInChI=1S/C5H5N2.Li/c1-5-6-3-2-4-7-5;/h3-4H,1H3;/q-1;+1
InChIKeyYBZKZRYIOMROLA-UHFFFAOYSA-N
MW100.05 g/mol
LogP-2.41
Rot. Bonds

About lithium 2-methyl-5H-pyrimidin-5-ide

lithium 2-methyl-5H-pyrimidin-5-ide (PubChem CID 165394783) has the molecular formula C5H5LiN2 and a molecular weight of 100.05 g/mol. Its IUPAC name is lithium 2-methyl-5H-pyrimidin-5-ide.

Molecular Properties

Compound Namelithium 2-methyl-5H-pyrimidin-5-ide
PubChem CID165394783
Molecular FormulaC5H5LiN2
Molecular Weight100.05 g/mol
Exact Mass100.06
IUPAC Namelithium 2-methyl-5H-pyrimidin-5-ide
SMILESCc1nc[c-]cn1.[Li+]
InChIInChI=1S/C5H5N2.Li/c1-5-6-3-2-4-7-5;/h3-4H,1H3;/q-1;+1
InChIKeyYBZKZRYIOMROLA-UHFFFAOYSA-N
XLogP-2.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.05
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 2-methyl-5H-pyrimidin-5-ide 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 lithium 2-methyl-5H-pyrimidin-5-ide?
The IUPAC name of lithium 2-methyl-5H-pyrimidin-5-ide (CID 165394783) is lithium 2-methyl-5H-pyrimidin-5-ide.
What is the SMILES notation for lithium 2-methyl-5H-pyrimidin-5-ide?
The canonical SMILES for lithium 2-methyl-5H-pyrimidin-5-ide is Cc1nc[c-]cn1.[Li+].
What is the InChIKey of lithium 2-methyl-5H-pyrimidin-5-ide?
The InChIKey is YBZKZRYIOMROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2.Li/c1-5-6-3-2-4-7-5;/h3-4H,1H3;/q-1;+1.
What are the key properties of lithium 2-methyl-5H-pyrimidin-5-ide?
lithium 2-methyl-5H-pyrimidin-5-ide has a molecular weight of 100.05 g/mol, XLogP of -2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methyl-5H-pyrimidin-5-ide is sourced from PubChem (CID 165394783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).