ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))

C7H9N2Rb3 — CID 169256188

IUPACethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))
SMILESCC.Cc1[c-]n[c-]n[c-]1.[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C5H3N2.C2H6.3Rb/c1-5-2-6-4-7-3-5;1-2;;;/h1H3;1-2H3;;;/q-3;;3*+1
InChIKeyNYFYVORPQVWNRD-UHFFFAOYSA-N
MW377.57 g/mol
LogP-7.78
Rot. Bonds

About ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))

ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+)) (PubChem CID 169256188) has the molecular formula C7H9N2Rb3 and a molecular weight of 377.57 g/mol. Its IUPAC name is ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+)).

Molecular Properties

Compound Nameethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))
PubChem CID169256188
Molecular FormulaC7H9N2Rb3
Molecular Weight377.57 g/mol
Exact Mass375.81
IUPAC Nameethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))
SMILESCC.Cc1[c-]n[c-]n[c-]1.[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C5H3N2.C2H6.3Rb/c1-5-2-6-4-7-3-5;1-2;;;/h1H3;1-2H3;;;/q-3;;3*+1
InChIKeyNYFYVORPQVWNRD-UHFFFAOYSA-N
XLogP-7.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 5-7.78
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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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))?
The IUPAC name of ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+)) (CID 169256188) is ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+)).
What is the SMILES notation for ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))?
The canonical SMILES for ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+)) is CC.Cc1[c-]n[c-]n[c-]1.[Rb+].[Rb+].[Rb+].
What is the InChIKey of ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))?
The InChIKey is NYFYVORPQVWNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N2.C2H6.3Rb/c1-5-2-6-4-7-3-5;1-2;;;/h1H3;1-2H3;;;/q-3;;3*+1.
What are the key properties of ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+))?
ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+)) has a molecular weight of 377.57 g/mol, XLogP of -7.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4,6-dihydro-2H-pyrimidine-2,4,6-triide;tris(rubidium(1+)) is sourced from PubChem (CID 169256188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).