6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)

C5H4N2Y7-2 — CID 59922058

IUPAC6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)
SMILESCc1c[c-]n[c-]n1.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H4N2.7Y/c1-5-2-3-6-4-7-5;;;;;;;/h2H,1H3;;;;;;;/q-2;;;;;;;
InChIKeySEHQARMBUJMQSK-UHFFFAOYSA-N
MW714.44 g/mol
LogP0.37
Rot. Bonds

About 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)

6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium) (PubChem CID 59922058) has the molecular formula C5H4N2Y7-2 and a molecular weight of 714.44 g/mol. Its IUPAC name is 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium).

Molecular Properties

Compound Name6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)
PubChem CID59922058
Molecular FormulaC5H4N2Y7-2
Molecular Weight714.44 g/mol
Exact Mass714.38
IUPAC Name6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)
SMILESCc1c[c-]n[c-]n1.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H4N2.7Y/c1-5-2-3-6-4-7-5;;;;;;;/h2H,1H3;;;;;;;/q-2;;;;;;;
InChIKeySEHQARMBUJMQSK-UHFFFAOYSA-N
XLogP0.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500714.44
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4H-pyrimidin-4-ide;tris(yttrium)
CID 22975312
6-methyl-4H-pyrimidin-4-id-2-amine;yttrium
CID 57752409
2,6-dimethyl-4H-pyrimidin-4-ide;vanadium
CID 58630510
4-methyl-2H-pyrimidin-2-ide;yttrium
CID 58697581
2-isocyanato-6-methyl-4H-pyrimidin-4-ide;yttrium
CID 58781776
4,6-dimethyl-2H-pyrimidin-2-ide;yttrium
CID 58945782
2-Methyl-4,6-dihydropyrimidine-4,6-diide;bis(yttrium)
CID 58970932
6-methyl-4H-pyrimidin-4-id-2-amine;tris(yttrium)
CID 59597032
2,6-dimethyl-4H-pyrimidin-4-ide;tungsten
CID 59779605
2,6-dimethyl-4H-pyrimidin-4-ide;bis(yttrium)
CID 59840887
6-methyl-4H-pyrimidin-4-ide;yttrium
CID 59887476
2,6-dimethyl-4H-pyrimidin-4-ide;yttrium
CID 59964715

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)?
The IUPAC name of 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium) (CID 59922058) is 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium).
What is the SMILES notation for 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)?
The canonical SMILES for 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium) is Cc1c[c-]n[c-]n1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)?
The InChIKey is SEHQARMBUJMQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2.7Y/c1-5-2-3-6-4-7-5;;;;;;;/h2H,1H3;;;;;;;/q-2;;;;;;;.
What are the key properties of 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium)?
6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium) has a molecular weight of 714.44 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dihydropyrimidine-2,4-diide;heptakis(yttrium) is sourced from PubChem (CID 59922058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).