5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)

C6H6N2Y6-2 — CID 58120789

IUPAC5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)
SMILESCc1[c-]n[c-]nc1C.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H6N2.6Y/c1-5-3-7-4-8-6(5)2;;;;;;/h1-2H3;;;;;;/q-2;;;;;;
InChIKeyKPBGDYJPWWRTNT-UHFFFAOYSA-N
MW639.56 g/mol
LogP0.68
Rot. Bonds

About 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)

5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium) (PubChem CID 58120789) has the molecular formula C6H6N2Y6-2 and a molecular weight of 639.56 g/mol. Its IUPAC name is 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium).

Molecular Properties

Compound Name5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)
PubChem CID58120789
Molecular FormulaC6H6N2Y6-2
Molecular Weight639.56 g/mol
Exact Mass639.49
IUPAC Name5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)
SMILESCc1[c-]n[c-]nc1C.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H6N2.6Y/c1-5-3-7-4-8-6(5)2;;;;;;/h1-2H3;;;;;;/q-2;;;;;;
InChIKeyKPBGDYJPWWRTNT-UHFFFAOYSA-N
XLogP0.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.56
LogP ≤ 50.68
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

5,6-Dimethyl-2,4-dihydropyrimidine-2,4-diide;bis(yttrium)
CID 57531787
4,5,6-trimethyl-2H-pyrimidin-2-ide;tetrakis(yttrium)
CID 58106162
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
2-chloro-5,6-dimethyl-4H-pyrimidin-4-ide;yttrium
CID 58956273
2,5-Dimethyl-4,6-dihydropyrimidine-4,6-diide;bis(yttrium)
CID 59098087
2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 59560496
4,5-dimethyl-2H-pyrimidin-2-ide;yttrium
CID 59968340
4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 60010076
4,5-dimethyl-2H-pyrimidin-2-ide;bis(yttrium)
CID 60087215
rhodium;2,5,6-trimethyl-4H-pyrimidin-4-ide
CID 156844690
5,6-dimethyl-4H-pyrimidin-4-ide;rhenium
CID 178026109
4,5-dimethyl-2H-pyrimidin-2-ide;yttrium(3+)
CID 20686961

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)?
The IUPAC name of 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium) (CID 58120789) is 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium).
What is the SMILES notation for 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)?
The canonical SMILES for 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium) is Cc1[c-]n[c-]nc1C.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)?
The InChIKey is KPBGDYJPWWRTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2.6Y/c1-5-3-7-4-8-6(5)2;;;;;;/h1-2H3;;;;;;/q-2;;;;;;.
What are the key properties of 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium)?
5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium) has a molecular weight of 639.56 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,4-dihydropyrimidine-2,4-diide;hexakis(yttrium) is sourced from PubChem (CID 58120789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).