2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium

C11H17N5O2Y-2 — CID 135991965

IUPAC2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium
SMILESCCOCCn1[c-]nc2c(=O)[nH]c(N)nc21.[CH2-]C.[Y]
InChIInChI=1S/C9H12N5O2.C2H5.Y/c1-2-16-4-3-14-5-11-6-7(14)12-9(10)13-8(6)15;1-2;/h2-4H2,1H3,(H3,10,12,13,15);1H2,2H3;/q2*-1;
InChIKeyYJDYUVHDPHERFL-UHFFFAOYSA-N
MW340.20 g/mol
LogP0.38
Rot. Bonds4

About 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium

2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium (PubChem CID 135991965) has the molecular formula C11H17N5O2Y-2 and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium.

Molecular Properties

Compound Name2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium
PubChem CID135991965
Molecular FormulaC11H17N5O2Y-2
Molecular Weight340.20 g/mol
Exact Mass340.05
IUPAC Name2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium
SMILESCCOCCn1[c-]nc2c(=O)[nH]c(N)nc21.[CH2-]C.[Y]
InChIInChI=1S/C9H12N5O2.C2H5.Y/c1-2-16-4-3-14-5-11-6-7(14)12-9(10)13-8(6)15;1-2;/h2-4H2,1H3,(H3,10,12,13,15);1H2,2H3;/q2*-1;
InChIKeyYJDYUVHDPHERFL-UHFFFAOYSA-N
XLogP0.38
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium?
The IUPAC name of 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium (CID 135991965) is 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium.
What is the SMILES notation for 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium?
The canonical SMILES for 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium is CCOCCn1[c-]nc2c(=O)[nH]c(N)nc21.[CH2-]C.[Y].
What is the InChIKey of 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium?
The InChIKey is YJDYUVHDPHERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N5O2.C2H5.Y/c1-2-16-4-3-14-5-11-6-7(14)12-9(10)13-8(6)15;1-2;/h2-4H2,1H3,(H3,10,12,13,15);1H2,2H3;/q2*-1;.
What are the key properties of 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium?
2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium has a molecular weight of 340.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium is sourced from PubChem (CID 135991965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).