dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride

C9H12Cl2Mg2N2O3 — CID 139215021

IUPACdimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride
SMILESCC(C)(C)C(O)c1cnc([O-])nc1[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C9H14N2O3.2ClH.2Mg/c1-9(2,3)6(12)5-4-10-8(14)11-7(5)13;;;;/h4,6,12H,1-3H3,(H2,10,11,13,14);2*1H;;/q;;;2*+2/p-4
InChIKeyNOAJLEYSWLSHKC-UHFFFAOYSA-J
MW315.72 g/mol
LogP-7.05
Rot. Bonds1

About dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride

dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride (PubChem CID 139215021) has the molecular formula C9H12Cl2Mg2N2O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride.

Molecular Properties

Compound Namedimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride
PubChem CID139215021
Molecular FormulaC9H12Cl2Mg2N2O3
Molecular Weight315.72 g/mol
Exact Mass313.99
IUPAC Namedimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride
SMILESCC(C)(C)C(O)c1cnc([O-])nc1[O-].[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C9H14N2O3.2ClH.2Mg/c1-9(2,3)6(12)5-4-10-8(14)11-7(5)13;;;;/h4,6,12H,1-3H3,(H2,10,11,13,14);2*1H;;/q;;;2*+2/p-4
InChIKeyNOAJLEYSWLSHKC-UHFFFAOYSA-J
XLogP-7.05
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 5-7.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride 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 dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride?
The IUPAC name of dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride (CID 139215021) is dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride.
What is the SMILES notation for dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride?
The canonical SMILES for dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride is CC(C)(C)C(O)c1cnc([O-])nc1[O-].[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride?
The InChIKey is NOAJLEYSWLSHKC-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H14N2O3.2ClH.2Mg/c1-9(2,3)6(12)5-4-10-8(14)11-7(5)13;;;;/h4,6,12H,1-3H3,(H2,10,11,13,14);2*1H;;/q;;;2*+2/p-4.
What are the key properties of dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride?
dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride has a molecular weight of 315.72 g/mol, XLogP of -7.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride is sourced from PubChem (CID 139215021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).