ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide

C11H21N2Rb — CID 167503041

IUPACethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide
SMILESCC.CC.Cc1n[c-]c(C)c(C)n1.[Rb+]
InChIInChI=1S/C7H9N2.2C2H6.Rb/c1-5-4-8-7(3)9-6(5)2;2*1-2;/h1-3H3;2*1-2H3;/q-1;;;+1
InChIKeyRPGUWJKMSMJTTN-UHFFFAOYSA-N
MW266.77 g/mol
LogP0.26
Rot. Bonds

About ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide

ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide (PubChem CID 167503041) has the molecular formula C11H21N2Rb and a molecular weight of 266.77 g/mol. Its IUPAC name is ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide.

Molecular Properties

Compound Nameethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide
PubChem CID167503041
Molecular FormulaC11H21N2Rb
Molecular Weight266.77 g/mol
Exact Mass266.08
IUPAC Nameethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide
SMILESCC.CC.Cc1n[c-]c(C)c(C)n1.[Rb+]
InChIInChI=1S/C7H9N2.2C2H6.Rb/c1-5-4-8-7(3)9-6(5)2;2*1-2;/h1-3H3;2*1-2H3;/q-1;;;+1
InChIKeyRPGUWJKMSMJTTN-UHFFFAOYSA-N
XLogP0.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 58651181
2,5,6-trimethyl-4H-pyrimidin-4-ide;yttrium
CID 59560496
1,2,3,5,6-pentamethyl-4H-pyrimidine-1,3-diium-4-ide;rubidium(1+)
CID 59997626
6-methyl-2-propan-2-yl-4H-pyrimidin-4-ide;bis(rubidium(1+))
CID 145607644
rhodium;2,5,6-trimethyl-4H-pyrimidin-4-ide
CID 156844690
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 ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide?
The IUPAC name of ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide (CID 167503041) is ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide.
What is the SMILES notation for ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide?
The canonical SMILES for ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide is CC.CC.Cc1n[c-]c(C)c(C)n1.[Rb+].
What is the InChIKey of ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide?
The InChIKey is RPGUWJKMSMJTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2.2C2H6.Rb/c1-5-4-8-7(3)9-6(5)2;2*1-2;/h1-3H3;2*1-2H3;/q-1;;;+1.
What are the key properties of ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide?
ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide has a molecular weight of 266.77 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;rubidium(1+);2,5,6-trimethyl-4H-pyrimidin-4-ide is sourced from PubChem (CID 167503041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).