5,6-dimethyl-4H-pyrimidin-4-ide;rhenium

C6H7N2Re- — CID 178026109

IUPAC5,6-dimethyl-4H-pyrimidin-4-ide;rhenium
SMILESCc1[c-]ncnc1C.[Re]
InChIInChI=1S/C6H7N2.Re/c1-5-3-7-4-8-6(5)2;/h4H,1-2H3;/q-1;
InChIKeyWZKPGLTXPWVYKV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.89
Rot. Bonds

About 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium

5,6-dimethyl-4H-pyrimidin-4-ide;rhenium (PubChem CID 178026109) has the molecular formula C6H7N2Re- and a molecular weight of 293.34 g/mol. Its IUPAC name is 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium.

Molecular Properties

Compound Name5,6-dimethyl-4H-pyrimidin-4-ide;rhenium
PubChem CID178026109
Molecular FormulaC6H7N2Re-
Molecular Weight293.34 g/mol
Exact Mass294.02
IUPAC Name5,6-dimethyl-4H-pyrimidin-4-ide;rhenium
SMILESCc1[c-]ncnc1C.[Re]
InChIInChI=1S/C6H7N2.Re/c1-5-3-7-4-8-6(5)2;/h4H,1-2H3;/q-1;
InChIKeyWZKPGLTXPWVYKV-UHFFFAOYSA-N
XLogP0.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.89
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

5,6-Dimethyl-2,4-dihydropyrimidine-2,4-diide;bis(yttrium)
CID 57531787
5,6-Dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)
CID 58120789
6,7-Dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene
CID 129190394

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium?
The IUPAC name of 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium (CID 178026109) is 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium.
What is the SMILES notation for 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium?
The canonical SMILES for 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium is Cc1[c-]ncnc1C.[Re].
What is the InChIKey of 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium?
The InChIKey is WZKPGLTXPWVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.Re/c1-5-3-7-4-8-6(5)2;/h4H,1-2H3;/q-1;.
What are the key properties of 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium?
5,6-dimethyl-4H-pyrimidin-4-ide;rhenium has a molecular weight of 293.34 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4H-pyrimidin-4-ide;rhenium is sourced from PubChem (CID 178026109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).