1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)

C15H21N4Y2- — CID 161116994

IUPAC1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)
SMILESCc1n[c-][n+](C)c(C)c1C.Cc1n[c-]nc(C)c1C.[Y].[Y]
InChIInChI=1S/C8H12N2.C7H9N2.2Y/c1-6-7(2)9-5-10(4)8(6)3;1-5-6(2)8-4-9-7(5)3;;/h1-4H3;1-3H3;;/q;-1;;
InChIKeyBSRXMFGNDWZZSS-UHFFFAOYSA-N
MW435.17 g/mol
LogP1.83
Rot. Bonds

About 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)

1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium) (PubChem CID 161116994) has the molecular formula C15H21N4Y2- and a molecular weight of 435.17 g/mol. Its IUPAC name is 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium).

Molecular Properties

Compound Name1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)
PubChem CID161116994
Molecular FormulaC15H21N4Y2-
Molecular Weight435.17 g/mol
Exact Mass434.99
IUPAC Name1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)
SMILESCc1n[c-][n+](C)c(C)c1C.Cc1n[c-]nc(C)c1C.[Y].[Y]
InChIInChI=1S/C8H12N2.C7H9N2.2Y/c1-6-7(2)9-5-10(4)8(6)3;1-5-6(2)8-4-9-7(5)3;;/h1-4H3;1-3H3;;/q;-1;;
InChIKeyBSRXMFGNDWZZSS-UHFFFAOYSA-N
XLogP1.83
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2,3,4-trimethylpent-2-ene;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 59882463
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;yttrium
CID 60010075
CID 158493425
CID 158493425
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide
CID 20800963

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)?
The IUPAC name of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium) (CID 161116994) is 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium).
What is the SMILES notation for 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)?
The canonical SMILES for 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium) is Cc1n[c-][n+](C)c(C)c1C.Cc1n[c-]nc(C)c1C.[Y].[Y].
What is the InChIKey of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)?
The InChIKey is BSRXMFGNDWZZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H9N2.2Y/c1-6-7(2)9-5-10(4)8(6)3;1-5-6(2)8-4-9-7(5)3;;/h1-4H3;1-3H3;;/q;-1;;.
What are the key properties of 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)?
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium) has a molecular weight of 435.17 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium) is sourced from PubChem (CID 161116994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).