9-methyl-6H-purin-6-id-8-amine;yttrium

C6H6N5Y- — CID 58110849

IUPAC9-methyl-6H-purin-6-id-8-amine;yttrium
SMILESCn1c(N)nc2[c-]ncnc21.[Y]
InChIInChI=1S/C6H6N5.Y/c1-11-5-4(10-6(11)7)2-8-3-9-5;/h3H,1H3,(H2,7,10);/q-1;
InChIKeySSFJSOCWXBLLQX-UHFFFAOYSA-N
MW237.06 g/mol
LogP-0.26
Rot. Bonds

About 9-methyl-6H-purin-6-id-8-amine;yttrium

9-methyl-6H-purin-6-id-8-amine;yttrium (PubChem CID 58110849) has the molecular formula C6H6N5Y- and a molecular weight of 237.06 g/mol. Its IUPAC name is 9-methyl-6H-purin-6-id-8-amine;yttrium.

Molecular Properties

Compound Name9-methyl-6H-purin-6-id-8-amine;yttrium
PubChem CID58110849
Molecular FormulaC6H6N5Y-
Molecular Weight237.06 g/mol
Exact Mass236.97
IUPAC Name9-methyl-6H-purin-6-id-8-amine;yttrium
SMILESCn1c(N)nc2[c-]ncnc21.[Y]
InChIInChI=1S/C6H6N5.Y/c1-11-5-4(10-6(11)7)2-8-3-9-5;/h3H,1H3,(H2,7,10);/q-1;
InChIKeySSFJSOCWXBLLQX-UHFFFAOYSA-N
XLogP-0.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 5-0.26
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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Related Compounds

5-chloro-3-methylimidazole-2,4-diamine
CID 69341462
8-bromo-9-methylpurin-6-amine
CID 822296
2-amino-3-methylimidazol-4-ol
CID 69341192
1-methylimidazo[4,5-f]quinoxalin-2-amine
CID 86048725
1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
CID 72710310
5,6-difluoro-1-methylbenzimidazol-2-amine
CID 82359172
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
ethane;2-methyl-1,2,4-triazol-3-amine
CID 167473762
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
1,6,7-trimethylimidazo[4,5-b]pyridin-2-amine
CID 24848642
1,2-dimethylimidazo[4,5-c]pyridin-4-amine
CID 20662696
3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine
CID 45038124

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6H-purin-6-id-8-amine;yttrium?
The IUPAC name of 9-methyl-6H-purin-6-id-8-amine;yttrium (CID 58110849) is 9-methyl-6H-purin-6-id-8-amine;yttrium.
What is the SMILES notation for 9-methyl-6H-purin-6-id-8-amine;yttrium?
The canonical SMILES for 9-methyl-6H-purin-6-id-8-amine;yttrium is Cn1c(N)nc2[c-]ncnc21.[Y].
What is the InChIKey of 9-methyl-6H-purin-6-id-8-amine;yttrium?
The InChIKey is SSFJSOCWXBLLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N5.Y/c1-11-5-4(10-6(11)7)2-8-3-9-5;/h3H,1H3,(H2,7,10);/q-1;.
What are the key properties of 9-methyl-6H-purin-6-id-8-amine;yttrium?
9-methyl-6H-purin-6-id-8-amine;yttrium has a molecular weight of 237.06 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6H-purin-6-id-8-amine;yttrium is sourced from PubChem (CID 58110849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).