magnesium;2-amino-1,7-dihydropurin-6-one;dichloride

C5H5Cl2MgN5O — CID 174866452

IUPACmagnesium;2-amino-1,7-dihydropurin-6-one;dichloride
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C5H5N5O.2ClH.Mg/c6-5-9-3-2(4(11)10-5)7-1-8-3;;;/h1H,(H4,6,7,8,9,10,11);2*1H;/q;;;+2/p-2
InChIKeyQLFIBEYMNVMGFX-UHFFFAOYSA-L
MW246.34 g/mol
LogP-7.14
Rot. Bonds

About magnesium;2-amino-1,7-dihydropurin-6-one;dichloride

magnesium;2-amino-1,7-dihydropurin-6-one;dichloride (PubChem CID 174866452) has the molecular formula C5H5Cl2MgN5O and a molecular weight of 246.34 g/mol. Its IUPAC name is magnesium;2-amino-1,7-dihydropurin-6-one;dichloride.

Molecular Properties

Compound Namemagnesium;2-amino-1,7-dihydropurin-6-one;dichloride
PubChem CID174866452
Molecular FormulaC5H5Cl2MgN5O
Molecular Weight246.34 g/mol
Exact Mass244.97
IUPAC Namemagnesium;2-amino-1,7-dihydropurin-6-one;dichloride
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C5H5N5O.2ClH.Mg/c6-5-9-3-2(4(11)10-5)7-1-8-3;;;/h1H,(H4,6,7,8,9,10,11);2*1H;/q;;;+2/p-2
InChIKeyQLFIBEYMNVMGFX-UHFFFAOYSA-L
XLogP-7.14
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-7.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098
2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
CID 136626730
2-amino-1,7-dihydropurin-6-one;phosphoric acid;7H-purin-6-amine
CID 172703090
2-amino-1,7-dihydropurin-6-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 159387270
2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol
CID 142099539
2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
CID 160674517
2-amino-1,7-dihydropurin-6-one;5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
CID 159240828
2-chloro-1,7-dihydropurin-6-one
CID 160598455

Frequently Asked Questions

What is the IUPAC name of magnesium;2-amino-1,7-dihydropurin-6-one;dichloride?
The IUPAC name of magnesium;2-amino-1,7-dihydropurin-6-one;dichloride (CID 174866452) is magnesium;2-amino-1,7-dihydropurin-6-one;dichloride.
What is the SMILES notation for magnesium;2-amino-1,7-dihydropurin-6-one;dichloride?
The canonical SMILES for magnesium;2-amino-1,7-dihydropurin-6-one;dichloride is Nc1nc2nc[nH]c2c(=O)[nH]1.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-amino-1,7-dihydropurin-6-one;dichloride?
The InChIKey is QLFIBEYMNVMGFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5N5O.2ClH.Mg/c6-5-9-3-2(4(11)10-5)7-1-8-3;;;/h1H,(H4,6,7,8,9,10,11);2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;2-amino-1,7-dihydropurin-6-one;dichloride?
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride has a molecular weight of 246.34 g/mol, XLogP of -7.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-amino-1,7-dihydropurin-6-one;dichloride is sourced from PubChem (CID 174866452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).