4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium

C9H9N3WY-2 — CID 59708918

IUPAC4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
SMILES[3H][C-]1C(=C)N(C)c2n[c-]nc(C)c21.[W].[Y]
InChIInChI=1S/C9H9N3.W.Y/c1-6-4-8-7(2)10-5-11-9(8)12(6)3;;/h4H,1H2,2-3H3;;/q-2;;/i4T;;
InChIKeyODQCYRZHWCGADS-GDSHKQBBSA-N
MW433.95 g/mol
LogP1.10
Rot. Bonds

About 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium

4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium (PubChem CID 59708918) has the molecular formula C9H9N3WY-2 and a molecular weight of 433.95 g/mol. Its IUPAC name is 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium.

Molecular Properties

Compound Name4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
PubChem CID59708918
Molecular FormulaC9H9N3WY-2
Molecular Weight433.95 g/mol
Exact Mass433.95
IUPAC Name4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
SMILES[3H][C-]1C(=C)N(C)c2n[c-]nc(C)c21.[W].[Y]
InChIInChI=1S/C9H9N3.W.Y/c1-6-4-8-7(2)10-5-11-9(8)12(6)3;;/h4H,1H2,2-3H3;;/q-2;;/i4T;;
InChIKeyODQCYRZHWCGADS-GDSHKQBBSA-N
XLogP1.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
1,4-dimethyl-2-methylidene-3-tritio-6H-pyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
CID 59708879
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
The IUPAC name of 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium (CID 59708918) is 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium.
What is the SMILES notation for 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
The canonical SMILES for 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium is [3H][C-]1C(=C)N(C)c2n[c-]nc(C)c21.[W].[Y].
What is the InChIKey of 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
The InChIKey is ODQCYRZHWCGADS-GDSHKQBBSA-N. The full InChI is InChI=1S/C9H9N3.W.Y/c1-6-4-8-7(2)10-5-11-9(8)12(6)3;;/h4H,1H2,2-3H3;;/q-2;;/i4T;;.
What are the key properties of 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium has a molecular weight of 433.95 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-methylidene-5-tritio-2H-pyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium is sourced from PubChem (CID 59708918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).