6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium

C7H9N5OY-2 — CID 59649125

IUPAC6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium
SMILESCc1nc(N)c2[nH]c(=O)[n-]c2n1.[CH3-].[Y]
InChIInChI=1S/C6H7N5O.CH3.Y/c1-2-8-4(7)3-5(9-2)11-6(12)10-3;;/h1H3,(H4,7,8,9,10,11,12);1H3;/q;-1;/p-1
InChIKeyPNCFTFZQRBHQAX-UHFFFAOYSA-M
MW268.09 g/mol
LogP-0.39
Rot. Bonds

About 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium

6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium (PubChem CID 59649125) has the molecular formula C7H9N5OY-2 and a molecular weight of 268.09 g/mol. Its IUPAC name is 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium.

Molecular Properties

Compound Name6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium
PubChem CID59649125
Molecular FormulaC7H9N5OY-2
Molecular Weight268.09 g/mol
Exact Mass267.99
IUPAC Name6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium
SMILESCc1nc(N)c2[nH]c(=O)[n-]c2n1.[CH3-].[Y]
InChIInChI=1S/C6H7N5O.CH3.Y/c1-2-8-4(7)3-5(9-2)11-6(12)10-3;;/h1H3,(H4,7,8,9,10,11,12);1H3;/q;-1;/p-1
InChIKeyPNCFTFZQRBHQAX-UHFFFAOYSA-M
XLogP-0.39
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium?
The IUPAC name of 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium (CID 59649125) is 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium.
What is the SMILES notation for 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium?
The canonical SMILES for 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium is Cc1nc(N)c2[nH]c(=O)[n-]c2n1.[CH3-].[Y].
What is the InChIKey of 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium?
The InChIKey is PNCFTFZQRBHQAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7N5O.CH3.Y/c1-2-8-4(7)3-5(9-2)11-6(12)10-3;;/h1H3,(H4,7,8,9,10,11,12);1H3;/q;-1;/p-1.
What are the key properties of 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium?
6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium has a molecular weight of 268.09 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-7H-purin-9-id-8-one;carbanide;yttrium is sourced from PubChem (CID 59649125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).