6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium

C8H9N4Y- — CID 176927745

IUPAC6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium
SMILESCC(C)c1n[c-]nc2nc[nH]c12.[Y]
InChIInChI=1S/C8H9N4.Y/c1-5(2)6-7-8(11-3-9-6)12-4-10-7;/h4-5H,1-2H3,(H,9,10,11,12);/q-1;
InChIKeyFLIULIYTNVIVQU-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.27
Rot. Bonds1

About 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium

6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium (PubChem CID 176927745) has the molecular formula C8H9N4Y- and a molecular weight of 250.09 g/mol. Its IUPAC name is 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium.

Molecular Properties

Compound Name6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium
PubChem CID176927745
Molecular FormulaC8H9N4Y-
Molecular Weight250.09 g/mol
Exact Mass249.99
IUPAC Name6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium
SMILESCC(C)c1n[c-]nc2nc[nH]c12.[Y]
InChIInChI=1S/C8H9N4.Y/c1-5(2)6-7-8(11-3-9-6)12-4-10-7;/h4-5H,1-2H3,(H,9,10,11,12);/q-1;
InChIKeyFLIULIYTNVIVQU-UHFFFAOYSA-N
XLogP1.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 170617966
7-methyl-1H-imidazo[4,5-b]pyridine
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7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen
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6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 130438978
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
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CID 12615462

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium?
The IUPAC name of 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium (CID 176927745) is 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium.
What is the SMILES notation for 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium?
The canonical SMILES for 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium is CC(C)c1n[c-]nc2nc[nH]c12.[Y].
What is the InChIKey of 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium?
The InChIKey is FLIULIYTNVIVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4.Y/c1-5(2)6-7-8(11-3-9-6)12-4-10-7;/h4-5H,1-2H3,(H,9,10,11,12);/q-1;.
What are the key properties of 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium?
6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium has a molecular weight of 250.09 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium is sourced from PubChem (CID 176927745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).