methane;9-propan-2-yl-8H-purin-8-ide;yttrium

C9H13N4Y- — CID 157148419

IUPACmethane;9-propan-2-yl-8H-purin-8-ide;yttrium
SMILESC.CC(C)n1[c-]nc2cncnc21.[Y]
InChIInChI=1S/C8H9N4.CH4.Y/c1-6(2)12-5-11-7-3-9-4-10-8(7)12;;/h3-4,6H,1-2H3;1H4;/q-1;;
InChIKeyCQNAQWXQMDJNCR-UHFFFAOYSA-N
MW266.14 g/mol
LogP1.84
Rot. Bonds1

About methane;9-propan-2-yl-8H-purin-8-ide;yttrium

methane;9-propan-2-yl-8H-purin-8-ide;yttrium (PubChem CID 157148419) has the molecular formula C9H13N4Y- and a molecular weight of 266.14 g/mol. Its IUPAC name is methane;9-propan-2-yl-8H-purin-8-ide;yttrium.

Molecular Properties

Compound Namemethane;9-propan-2-yl-8H-purin-8-ide;yttrium
PubChem CID157148419
Molecular FormulaC9H13N4Y-
Molecular Weight266.14 g/mol
Exact Mass266.02
IUPAC Namemethane;9-propan-2-yl-8H-purin-8-ide;yttrium
SMILESC.CC(C)n1[c-]nc2cncnc21.[Y]
InChIInChI=1S/C8H9N4.CH4.Y/c1-6(2)12-5-11-7-3-9-4-10-8(7)12;;/h3-4,6H,1-2H3;1H4;/q-1;;
InChIKeyCQNAQWXQMDJNCR-UHFFFAOYSA-N
XLogP1.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yltriazolo[4,5-d]pyrimidine
CID 57472339
9-(3-methylbutyl)purine
CID 20771994
9-methoxypurine
CID 56998918
9-propan-2-ylpurine-8-sulfonic acid
CID 174675108
9-chloro-8-methylpurine
CID 174882940
3-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 122697086
9-bromopurine
CID 91356605
9-iodopurine
CID 70189684
5-ethynyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 141429283
9-chloropurine;hydrochloride
CID 69266784
9-(2-chloropropan-2-yl)purine
CID 174393193
ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine
CID 165135845

Frequently Asked Questions

What is the IUPAC name of methane;9-propan-2-yl-8H-purin-8-ide;yttrium?
The IUPAC name of methane;9-propan-2-yl-8H-purin-8-ide;yttrium (CID 157148419) is methane;9-propan-2-yl-8H-purin-8-ide;yttrium.
What is the SMILES notation for methane;9-propan-2-yl-8H-purin-8-ide;yttrium?
The canonical SMILES for methane;9-propan-2-yl-8H-purin-8-ide;yttrium is C.CC(C)n1[c-]nc2cncnc21.[Y].
What is the InChIKey of methane;9-propan-2-yl-8H-purin-8-ide;yttrium?
The InChIKey is CQNAQWXQMDJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4.CH4.Y/c1-6(2)12-5-11-7-3-9-4-10-8(7)12;;/h3-4,6H,1-2H3;1H4;/q-1;;.
What are the key properties of methane;9-propan-2-yl-8H-purin-8-ide;yttrium?
methane;9-propan-2-yl-8H-purin-8-ide;yttrium has a molecular weight of 266.14 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-propan-2-yl-8H-purin-8-ide;yttrium is sourced from PubChem (CID 157148419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).