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

C8H7N3WY-2 — CID 59708852

IUPAC4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
SMILES[3H]c1[c-]n(C)c2n[c-]nc(C)c12.[W].[Y]
InChIInChI=1S/C8H7N3.W.Y/c1-6-7-3-4-11(2)8(7)10-5-9-6;;/h3H,1-2H3;;/q-2;;/i3T;;
InChIKeyFYDOTOORODYCRZ-QUDYKHCISA-N
MW419.92 g/mol
LogP0.87
Rot. Bonds

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

4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium (PubChem CID 59708852) has the molecular formula C8H7N3WY-2 and a molecular weight of 419.92 g/mol. Its IUPAC name is 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium.

Molecular Properties

Compound Name4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
PubChem CID59708852
Molecular FormulaC8H7N3WY-2
Molecular Weight419.92 g/mol
Exact Mass419.93
IUPAC Name4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
SMILES[3H]c1[c-]n(C)c2n[c-]nc(C)c12.[W].[Y]
InChIInChI=1S/C8H7N3.W.Y/c1-6-7-3-4-11(2)8(7)10-5-9-6;;/h3H,1-2H3;;/q-2;;/i3T;;
InChIKeyFYDOTOORODYCRZ-QUDYKHCISA-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 ≤ 500419.92
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-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium with MolForge

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Related Compounds

1,4-Dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium
CID 59708822
3,7-dimethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 59708824
4,7-Dimethyl-2,5-dihydropyrrolo[2,3-d]pyrimidine-2,5-diide;tungsten;yttrium
CID 59708839
3,7-Dimethyl-2,5-dihydroimidazo[4,5-b]pyridine-2,5-diide;tungsten;yttrium
CID 59708844
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
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
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926
2,7-Dimethyl-4,6-dihydropyrrolo[2,3-d]pyrimidine-4,6-diide;tungsten;yttrium
CID 60078403
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
(5E)-5-ethylidene-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine
CID 142230120

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium?
The IUPAC name of 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium (CID 59708852) is 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium.
What is the SMILES notation for 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium?
The canonical SMILES for 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium is [3H]c1[c-]n(C)c2n[c-]nc(C)c12.[W].[Y].
What is the InChIKey of 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium?
The InChIKey is FYDOTOORODYCRZ-QUDYKHCISA-N. The full InChI is InChI=1S/C8H7N3.W.Y/c1-6-7-3-4-11(2)8(7)10-5-9-6;;/h3H,1-2H3;;/q-2;;/i3T;;.
What are the key properties of 4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium?
4,7-dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium has a molecular weight of 419.92 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-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium is sourced from PubChem (CID 59708852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).