lithium 4,6-dimethyl-5H-pyrimidin-5-ide

C6H7LiN2 — CID 134892315

IUPAClithium 4,6-dimethyl-5H-pyrimidin-5-ide
SMILESCc1[c-]c(C)ncn1.[Li+]
InChIInChI=1S/C6H7N2.Li/c1-5-3-6(2)8-4-7-5;/h4H,1-2H3;/q-1;+1
InChIKeyRAZZHXVSDNGXBK-UHFFFAOYSA-N
MW114.08 g/mol
LogP-2.10
Rot. Bonds

About lithium 4,6-dimethyl-5H-pyrimidin-5-ide

lithium 4,6-dimethyl-5H-pyrimidin-5-ide (PubChem CID 134892315) has the molecular formula C6H7LiN2 and a molecular weight of 114.08 g/mol. Its IUPAC name is lithium 4,6-dimethyl-5H-pyrimidin-5-ide.

Molecular Properties

Compound Namelithium 4,6-dimethyl-5H-pyrimidin-5-ide
PubChem CID134892315
Molecular FormulaC6H7LiN2
Molecular Weight114.08 g/mol
Exact Mass114.08
IUPAC Namelithium 4,6-dimethyl-5H-pyrimidin-5-ide
SMILESCc1[c-]c(C)ncn1.[Li+]
InChIInChI=1S/C6H7N2.Li/c1-5-3-6(2)8-4-7-5;/h4H,1-2H3;/q-1;+1
InChIKeyRAZZHXVSDNGXBK-UHFFFAOYSA-N
XLogP-2.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 5-2.10
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

4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
CID 58291684
Potassium;4,6-dimethyl-2,5-dihydropyrimidine-2,5-diide;yttrium
CID 58291691
2-deuterio-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
CID 58291708
4,6-Dimethyl-2,5-dihydropyrimidine-2,5-diide;tungsten;yttrium
CID 59389610
4,6-Dimethyl-2,5-dihydropyrimidine-2,5-diide;tungsten;yttrium
CID 147888570

Frequently Asked Questions

What is the IUPAC name of lithium 4,6-dimethyl-5H-pyrimidin-5-ide?
The IUPAC name of lithium 4,6-dimethyl-5H-pyrimidin-5-ide (CID 134892315) is lithium 4,6-dimethyl-5H-pyrimidin-5-ide.
What is the SMILES notation for lithium 4,6-dimethyl-5H-pyrimidin-5-ide?
The canonical SMILES for lithium 4,6-dimethyl-5H-pyrimidin-5-ide is Cc1[c-]c(C)ncn1.[Li+].
What is the InChIKey of lithium 4,6-dimethyl-5H-pyrimidin-5-ide?
The InChIKey is RAZZHXVSDNGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.Li/c1-5-3-6(2)8-4-7-5;/h4H,1-2H3;/q-1;+1.
What are the key properties of lithium 4,6-dimethyl-5H-pyrimidin-5-ide?
lithium 4,6-dimethyl-5H-pyrimidin-5-ide has a molecular weight of 114.08 g/mol, XLogP of -2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,6-dimethyl-5H-pyrimidin-5-ide is sourced from PubChem (CID 134892315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).