N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)

C7H8N5Y+2 — CID 135843130

IUPACN,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)
SMILESC/N=c1\n[c-][nH]c2c1ncn2C.[Y+3]
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;+3
InChIKeyGLBUGSLOXSZUKS-UHFFFAOYSA-N
MW251.08 g/mol
LogP-0.38
Rot. Bonds

About N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)

N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+) (PubChem CID 135843130) has the molecular formula C7H8N5Y+2 and a molecular weight of 251.08 g/mol. Its IUPAC name is N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+).

Molecular Properties

Compound NameN,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)
PubChem CID135843130
Molecular FormulaC7H8N5Y+2
Molecular Weight251.08 g/mol
Exact Mass250.98
IUPAC NameN,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)
SMILESC/N=c1\n[c-][nH]c2c1ncn2C.[Y+3]
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;+3
InChIKeyGLBUGSLOXSZUKS-UHFFFAOYSA-N
XLogP-0.38
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,1,3-trimethylimidazol-2-imine
CID 23104077
6,9-dimethyl-2H-purin-2-ide;tungsten
CID 58896347
6-chloro-3-methyl-4H-imidazo[4,5-b]pyridin-5-one
CID 156848171
N,9-dimethyl-2H-purin-2-id-6-amine;yttrium
CID 59998516
N,9-dimethyl-2,3-dihydro-1H-purin-6-imine
CID 148696430
2-(ethylamino)-9-methyl-3H-purine-6-thione
CID 130009675
4,5,6,7-tetrafluoro-1-methylbenzimidazole
CID 122222869
4-chloro-1-methyl-5-propan-2-ylimidazole
CID 146392537
5,7-dichloro-3-methylimidazo[4,5-b]pyridine
CID 59696154
4-chloro-1,5-dimethylimidazole
CID 59999519
3-isocyano-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 153432641
1,4,6-trimethylbenzimidazol-5-amine
CID 146288405

Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)?
The IUPAC name of N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+) (CID 135843130) is N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+).
What is the SMILES notation for N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)?
The canonical SMILES for N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+) is C/N=c1\n[c-][nH]c2c1ncn2C.[Y+3].
What is the InChIKey of N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)?
The InChIKey is GLBUGSLOXSZUKS-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;+3.
What are the key properties of N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)?
N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+) has a molecular weight of 251.08 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+) is sourced from PubChem (CID 135843130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).