1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)

C9H15N2Rb+2 — CID 59997626

IUPAC1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)
SMILESCc1[c-][n+](C)c(C)[n+](C)c1C.[Rb+]
InChIInChI=1S/C9H15N2.Rb/c1-7-6-10(4)9(3)11(5)8(7)2;/h1-5H3;/q2*+1
InChIKeyJLFMSCNOQUDIOB-UHFFFAOYSA-N
MW236.70 g/mol
LogP-2.93
Rot. Bonds

About 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)

1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+) (PubChem CID 59997626) has the molecular formula C9H15N2Rb+2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+).

Molecular Properties

Compound Name1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)
PubChem CID59997626
Molecular FormulaC9H15N2Rb+2
Molecular Weight236.70 g/mol
Exact Mass236.03
IUPAC Name1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)
SMILESCc1[c-][n+](C)c(C)[n+](C)c1C.[Rb+]
InChIInChI=1S/C9H15N2.Rb/c1-7-6-10(4)9(3)11(5)8(7)2;/h1-5H3;/q2*+1
InChIKeyJLFMSCNOQUDIOB-UHFFFAOYSA-N
XLogP-2.93
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide
CID 167503041
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide
CID 20800963
carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium(3+)
CID 21034538
1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide
CID 59997627

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)?
The IUPAC name of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+) (CID 59997626) is 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+).
What is the SMILES notation for 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)?
The canonical SMILES for 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+) is Cc1[c-][n+](C)c(C)[n+](C)c1C.[Rb+].
What is the InChIKey of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)?
The InChIKey is JLFMSCNOQUDIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2.Rb/c1-7-6-10(4)9(3)11(5)8(7)2;/h1-5H3;/q2*+1.
What are the key properties of 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)?
1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+) has a molecular weight of 236.70 g/mol, XLogP of -2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+) is sourced from PubChem (CID 59997626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).