acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)

C17H24N4Y2-2 — CID 160844242

IUPACacetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)
SMILESC.C#C.Cc1[c-]c(C)nc(C)n1.Cc1[c-]c(C)nc(C)n1.[Y].[Y]
InChIInChI=1S/2C7H9N2.C2H2.CH4.2Y/c2*1-5-4-6(2)9-7(3)8-5;1-2;;;/h2*1-3H3;1-2H;1H4;;/q2*-1;;;;
InChIKeyQUAFPYJJJUPULI-UHFFFAOYSA-N
MW462.22 g/mol
LogP3.28
Rot. Bonds

About acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)

acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium) (PubChem CID 160844242) has the molecular formula C17H24N4Y2-2 and a molecular weight of 462.22 g/mol. Its IUPAC name is acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium).

Molecular Properties

Compound Nameacetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)
PubChem CID160844242
Molecular FormulaC17H24N4Y2-2
Molecular Weight462.22 g/mol
Exact Mass462.01
IUPAC Nameacetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)
SMILESC.C#C.Cc1[c-]c(C)nc(C)n1.Cc1[c-]c(C)nc(C)n1.[Y].[Y]
InChIInChI=1S/2C7H9N2.C2H2.CH4.2Y/c2*1-5-4-6(2)9-7(3)8-5;1-2;;;/h2*1-3H3;1-2H;1H4;;/q2*-1;;;;
InChIKeyQUAFPYJJJUPULI-UHFFFAOYSA-N
XLogP3.28
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)?
The IUPAC name of acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium) (CID 160844242) is acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium).
What is the SMILES notation for acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)?
The canonical SMILES for acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium) is C.C#C.Cc1[c-]c(C)nc(C)n1.Cc1[c-]c(C)nc(C)n1.[Y].[Y].
What is the InChIKey of acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)?
The InChIKey is QUAFPYJJJUPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N2.C2H2.CH4.2Y/c2*1-5-4-6(2)9-7(3)8-5;1-2;;;/h2*1-3H3;1-2H;1H4;;/q2*-1;;;;.
What are the key properties of acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)?
acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium) has a molecular weight of 462.22 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium) is sourced from PubChem (CID 160844242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).