azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride

C14H24Cl2N12O2Pt — CID 3081836

IUPACazane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride
SMILESCOc1nc(N)nc2c1ncn2C.COc1nc(N)nc2c1ncn2C.N.N.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C7H9N5O.2ClH.2H3N.Pt/c2*1-12-3-9-4-5(12)10-7(8)11-6(4)13-2;;;;;/h2*3H,1-2H3,(H2,8,10,11);2*1H;2*1H3;/q;;;;;;+2/p-2
InChIKeyMPHJRLQZZNBYDR-UHFFFAOYSA-L
MW658.41 g/mol
LogP-5.76
Rot. Bonds2

About azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride

azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride (PubChem CID 3081836) has the molecular formula C14H24Cl2N12O2Pt and a molecular weight of 658.41 g/mol. Its IUPAC name is azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride.

Molecular Properties

Compound Nameazane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride
PubChem CID3081836
Molecular FormulaC14H24Cl2N12O2Pt
Molecular Weight658.41 g/mol
Exact Mass657.12
IUPAC Nameazane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride
SMILESCOc1nc(N)nc2c1ncn2C.COc1nc(N)nc2c1ncn2C.N.N.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C7H9N5O.2ClH.2H3N.Pt/c2*1-12-3-9-4-5(12)10-7(8)11-6(4)13-2;;;;;/h2*3H,1-2H3,(H2,8,10,11);2*1H;2*1H3;/q;;;;;;+2/p-2
InChIKeyMPHJRLQZZNBYDR-UHFFFAOYSA-L
XLogP-5.76
TPSA227.70 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.41
LogP ≤ 5-5.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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Related Compounds

2-bromo-6-methoxy-9-methylpurine;ethane
CID 142303922
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
4-(2-amino-9-methylpurin-6-yl)oxybut-2-yn-1-ol;cyclooctane
CID 176575034
6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
CID 15223646
9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
N-[4-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
CID 167077303
N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
CID 167077221
2-amino-9-methyl-1H-purin-6-one;9-methyl-6-(propan-2-ylsulfanylmethoxy)purin-2-amine;2-methylsulfanylpropane
CID 159212445
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 18968724
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 139619795

Frequently Asked Questions

What is the IUPAC name of azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride?
The IUPAC name of azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride (CID 3081836) is azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride.
What is the SMILES notation for azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride?
The canonical SMILES for azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride is COc1nc(N)nc2c1ncn2C.COc1nc(N)nc2c1ncn2C.N.N.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride?
The InChIKey is MPHJRLQZZNBYDR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9N5O.2ClH.2H3N.Pt/c2*1-12-3-9-4-5(12)10-7(8)11-6(4)13-2;;;;;/h2*3H,1-2H3,(H2,8,10,11);2*1H;2*1H3;/q;;;;;;+2/p-2.
What are the key properties of azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride?
azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride has a molecular weight of 658.41 g/mol, XLogP of -5.76, 2 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(6-methoxy-9-methylpurin-2-amine);platinum(2+);dichloride is sourced from PubChem (CID 3081836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).