dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride

C7H6Cl2Mg2N2O2 — CID 139215025

IUPACdimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride
SMILESC=CCc1cnc([O-])nc1[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H8N2O2.2ClH.2Mg/c1-2-3-5-4-8-7(11)9-6(5)10;;;;/h2,4H,1,3H2,(H2,8,9,10,11);2*1H;;/q;;;2*+2/p-4
InChIKeyNMBZCOIRKOQAFY-UHFFFAOYSA-J
MW269.65 g/mol
LogP-7.40
Rot. Bonds2

About dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride

dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride (PubChem CID 139215025) has the molecular formula C7H6Cl2Mg2N2O2 and a molecular weight of 269.65 g/mol. Its IUPAC name is dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride.

Molecular Properties

Compound Namedimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride
PubChem CID139215025
Molecular FormulaC7H6Cl2Mg2N2O2
Molecular Weight269.65 g/mol
Exact Mass267.95
IUPAC Namedimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride
SMILESC=CCc1cnc([O-])nc1[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H8N2O2.2ClH.2Mg/c1-2-3-5-4-8-7(11)9-6(5)10;;;;/h2,4H,1,3H2,(H2,8,9,10,11);2*1H;;/q;;;2*+2/p-4
InChIKeyNMBZCOIRKOQAFY-UHFFFAOYSA-J
XLogP-7.40
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 5-7.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride?
The IUPAC name of dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride (CID 139215025) is dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride.
What is the SMILES notation for dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride?
The canonical SMILES for dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride is C=CCc1cnc([O-])nc1[O-].[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride?
The InChIKey is NMBZCOIRKOQAFY-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H8N2O2.2ClH.2Mg/c1-2-3-5-4-8-7(11)9-6(5)10;;;;/h2,4H,1,3H2,(H2,8,9,10,11);2*1H;;/q;;;2*+2/p-4.
What are the key properties of dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride?
dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride has a molecular weight of 269.65 g/mol, XLogP of -7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;5-prop-2-enylpyrimidine-2,4-diolate;dichloride is sourced from PubChem (CID 139215025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).