dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride

C11H14Cl2Mg2N2O3 — CID 139215023

IUPACdimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride
SMILES[Cl-].[Cl-].[Mg+2].[Mg+2].[O-]c1ncc(C(O)C2CCCCC2)c([O-])n1
InChIInChI=1S/C11H16N2O3.2ClH.2Mg/c14-9(7-4-2-1-3-5-7)8-6-12-11(16)13-10(8)15;;;;/h6-7,9,14H,1-5H2,(H2,12,13,15,16);2*1H;;/q;;;2*+2/p-4
InChIKeyGAVREBIZKUZROR-UHFFFAOYSA-J
MW341.76 g/mol
LogP-6.52
Rot. Bonds2

About dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride

dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride (PubChem CID 139215023) has the molecular formula C11H14Cl2Mg2N2O3 and a molecular weight of 341.76 g/mol. Its IUPAC name is dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride.

Molecular Properties

Compound Namedimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride
PubChem CID139215023
Molecular FormulaC11H14Cl2Mg2N2O3
Molecular Weight341.76 g/mol
Exact Mass340.01
IUPAC Namedimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride
SMILES[Cl-].[Cl-].[Mg+2].[Mg+2].[O-]c1ncc(C(O)C2CCCCC2)c([O-])n1
InChIInChI=1S/C11H16N2O3.2ClH.2Mg/c14-9(7-4-2-1-3-5-7)8-6-12-11(16)13-10(8)15;;;;/h6-7,9,14H,1-5H2,(H2,12,13,15,16);2*1H;;/q;;;2*+2/p-4
InChIKeyGAVREBIZKUZROR-UHFFFAOYSA-J
XLogP-6.52
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 5-6.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
cycloheptyl(quinoxalin-5-yl)methanol
CID 105122139
cycloheptyl-(5-methylpyrimidin-2-yl)methanol
CID 82931992
(S)-cyclohexyl(pyridin-4-yl)methanol
CID 166771545
cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride
CID 67682911
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
cycloheptyl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
CID 103129150
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
cyclohexyl-(2-methyltriazol-4-yl)methanol
CID 130521712
cyclohexyl-(5-iodo-1,3-thiazol-2-yl)methanol
CID 130541405
(R)-cyclopentyl-(2-nitrophenyl)methanol
CID 125472167

Frequently Asked Questions

What is the IUPAC name of dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride?
The IUPAC name of dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride (CID 139215023) is dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride.
What is the SMILES notation for dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride?
The canonical SMILES for dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride is [Cl-].[Cl-].[Mg+2].[Mg+2].[O-]c1ncc(C(O)C2CCCCC2)c([O-])n1.
What is the InChIKey of dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride?
The InChIKey is GAVREBIZKUZROR-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H16N2O3.2ClH.2Mg/c14-9(7-4-2-1-3-5-7)8-6-12-11(16)13-10(8)15;;;;/h6-7,9,14H,1-5H2,(H2,12,13,15,16);2*1H;;/q;;;2*+2/p-4.
What are the key properties of dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride?
dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride has a molecular weight of 341.76 g/mol, XLogP of -6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;5-[cyclohexyl(hydroxy)methyl]pyrimidine-2,4-diolate;dichloride is sourced from PubChem (CID 139215023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).