N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium

C8H8N5OY- — CID 59998515

IUPACN-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium
SMILESCC(=O)Nc1n[c-]nc2c1ncn2C.[Y]
InChIInChI=1S/C8H8N5O.Y/c1-5(14)12-7-6-8(10-3-9-7)13(2)4-11-6;/h4H,1-2H3,(H,9,10,12,14);/q-1;
InChIKeyIETCRTCBDHSQLB-UHFFFAOYSA-N
MW279.09 g/mol
LogP0.12
Rot. Bonds1

About N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium

N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium (PubChem CID 59998515) has the molecular formula C8H8N5OY- and a molecular weight of 279.09 g/mol. Its IUPAC name is N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium.

Molecular Properties

Compound NameN-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium
PubChem CID59998515
Molecular FormulaC8H8N5OY-
Molecular Weight279.09 g/mol
Exact Mass278.98
IUPAC NameN-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium
SMILESCC(=O)Nc1n[c-]nc2c1ncn2C.[Y]
InChIInChI=1S/C8H8N5O.Y/c1-5(14)12-7-6-8(10-3-9-7)13(2)4-11-6;/h4H,1-2H3,(H,9,10,12,14);/q-1;
InChIKeyIETCRTCBDHSQLB-UHFFFAOYSA-N
XLogP0.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium?
The IUPAC name of N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium (CID 59998515) is N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium.
What is the SMILES notation for N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium?
The canonical SMILES for N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium is CC(=O)Nc1n[c-]nc2c1ncn2C.[Y].
What is the InChIKey of N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium?
The InChIKey is IETCRTCBDHSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N5O.Y/c1-5(14)12-7-6-8(10-3-9-7)13(2)4-11-6;/h4H,1-2H3,(H,9,10,12,14);/q-1;.
What are the key properties of N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium?
N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium has a molecular weight of 279.09 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-2H-purin-2-id-6-yl)acetamide;yttrium is sourced from PubChem (CID 59998515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).