4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium

C8H7N3WY-2 — CID 59708839

IUPAC4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
SMILESCc1n[c-]nc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C8H7N3.W.Y/c1-6-7-3-4-11(2)8(7)10-5-9-6;;/h4H,1-2H3;;/q-2;;
InChIKeyXIZYGBAPPOKVHM-UHFFFAOYSA-N
MW417.91 g/mol
LogP0.87
Rot. Bonds

About 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium

4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium (PubChem CID 59708839) has the molecular formula C8H7N3WY-2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium.

Molecular Properties

Compound Name4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
PubChem CID59708839
Molecular FormulaC8H7N3WY-2
Molecular Weight417.91 g/mol
Exact Mass417.92
IUPAC Name4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
SMILESCc1n[c-]nc2c1[c-]cn2C.[W].[Y]
InChIInChI=1S/C8H7N3.W.Y/c1-6-7-3-4-11(2)8(7)10-5-9-6;;/h4H,1-2H3;;/q-2;;
InChIKeyXIZYGBAPPOKVHM-UHFFFAOYSA-N
XLogP0.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-Dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
CID 59708852
1,4-Dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
CID 59708885
1,4-Dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium
CID 59708894
4,7-dimethyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 60111507
4,7-Dimethyl-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
CID 60111516

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
The IUPAC name of 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium (CID 59708839) is 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium.
What is the SMILES notation for 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
The canonical SMILES for 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium is Cc1n[c-]nc2c1[c-]cn2C.[W].[Y].
What is the InChIKey of 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
The InChIKey is XIZYGBAPPOKVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.W.Y/c1-6-7-3-4-11(2)8(7)10-5-9-6;;/h4H,1-2H3;;/q-2;;.
What are the key properties of 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium?
4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium has a molecular weight of 417.91 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium is sourced from PubChem (CID 59708839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).