2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium

C8H8N3Y- — CID 58813308

IUPAC2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c2ccn(C)c2n1.[Y]
InChIInChI=1S/C8H8N3.Y/c1-6-9-5-7-3-4-11(2)8(7)10-6;/h3-4H,1-2H3;/q-1;
InChIKeyOGBMIBBSEUCDKA-UHFFFAOYSA-N
MW235.08 g/mol
LogP1.07
Rot. Bonds

About 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium

2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium (PubChem CID 58813308) has the molecular formula C8H8N3Y- and a molecular weight of 235.08 g/mol. Its IUPAC name is 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium.

Molecular Properties

Compound Name2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium
PubChem CID58813308
Molecular FormulaC8H8N3Y-
Molecular Weight235.08 g/mol
Exact Mass234.98
IUPAC Name2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium
SMILESCc1n[c-]c2ccn(C)c2n1.[Y]
InChIInChI=1S/C8H8N3.Y/c1-6-9-5-7-3-4-11(2)8(7)10-6;/h3-4H,1-2H3;/q-1;
InChIKeyOGBMIBBSEUCDKA-UHFFFAOYSA-N
XLogP1.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.07
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

1,4-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
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
7-methyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 60111512
1-Methyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 89012886
N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine
CID 123484804
(3Z)-N-ethenyl-3-ethylidene-1-methylpyrrol-2-imine
CID 138667497
N-ethenyl-N-ethyl-3-methylidenepyrrol-2-amine
CID 143758476
7-Methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridine
CID 45087584
(3Z)-3-ethylidene-1-methyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
CID 177983011

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium?
The IUPAC name of 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium (CID 58813308) is 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium.
What is the SMILES notation for 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium?
The canonical SMILES for 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium is Cc1n[c-]c2ccn(C)c2n1.[Y].
What is the InChIKey of 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium?
The InChIKey is OGBMIBBSEUCDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3.Y/c1-6-9-5-7-3-4-11(2)8(7)10-6;/h3-4H,1-2H3;/q-1;.
What are the key properties of 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium?
2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium has a molecular weight of 235.08 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium is sourced from PubChem (CID 58813308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).