N,9-dimethyl-2H-purin-2-id-6-amine;yttrium

C7H8N5Y- — CID 59998516

IUPACN,9-dimethyl-2H-purin-2-id-6-amine;yttrium
SMILESCNc1n[c-]nc2c1ncn2C.[Y]
InChIInChI=1S/C7H8N5.Y/c1-8-6-5-7(10-3-9-6)12(2)4-11-5;/h4H,1-2H3,(H,8,9,10);/q-1;
InChIKeyHUOULNAHLMJNCE-UHFFFAOYSA-N
MW251.08 g/mol
LogP0.20
Rot. Bonds1

About N,9-dimethyl-2H-purin-2-id-6-amine;yttrium

N,9-dimethyl-2H-purin-2-id-6-amine;yttrium (PubChem CID 59998516) has the molecular formula C7H8N5Y- and a molecular weight of 251.08 g/mol. Its IUPAC name is N,9-dimethyl-2H-purin-2-id-6-amine;yttrium.

Molecular Properties

Compound NameN,9-dimethyl-2H-purin-2-id-6-amine;yttrium
PubChem CID59998516
Molecular FormulaC7H8N5Y-
Molecular Weight251.08 g/mol
Exact Mass250.98
IUPAC NameN,9-dimethyl-2H-purin-2-id-6-amine;yttrium
SMILESCNc1n[c-]nc2c1ncn2C.[Y]
InChIInChI=1S/C7H8N5.Y/c1-8-6-5-7(10-3-9-6)12(2)4-11-5;/h4H,1-2H3,(H,8,9,10);/q-1;
InChIKeyHUOULNAHLMJNCE-UHFFFAOYSA-N
XLogP0.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 50.20
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-dimethyl-2H-purin-2-id-6-amine;yttrium?
The IUPAC name of N,9-dimethyl-2H-purin-2-id-6-amine;yttrium (CID 59998516) is N,9-dimethyl-2H-purin-2-id-6-amine;yttrium.
What is the SMILES notation for N,9-dimethyl-2H-purin-2-id-6-amine;yttrium?
The canonical SMILES for N,9-dimethyl-2H-purin-2-id-6-amine;yttrium is CNc1n[c-]nc2c1ncn2C.[Y].
What is the InChIKey of N,9-dimethyl-2H-purin-2-id-6-amine;yttrium?
The InChIKey is HUOULNAHLMJNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N5.Y/c1-8-6-5-7(10-3-9-6)12(2)4-11-5;/h4H,1-2H3,(H,8,9,10);/q-1;.
What are the key properties of N,9-dimethyl-2H-purin-2-id-6-amine;yttrium?
N,9-dimethyl-2H-purin-2-id-6-amine;yttrium has a molecular weight of 251.08 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-2H-purin-2-id-6-amine;yttrium is sourced from PubChem (CID 59998516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).