ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)

C7H12N3ORb — CID 143722591

IUPACethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)
SMILESCC.CNc1cnc[n-]c1=O.[Rb+]
InChIInChI=1S/C5H7N3O.C2H6.Rb/c1-6-4-2-7-3-8-5(4)9;1-2;/h2-3,6H,1H3,(H,7,8,9);1-2H3;/q;;+1/p-1
InChIKeyXFVZJCWRSWJTLI-UHFFFAOYSA-M
MW239.66 g/mol
LogP-2.53
Rot. Bonds1

About ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)

ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+) (PubChem CID 143722591) has the molecular formula C7H12N3ORb and a molecular weight of 239.66 g/mol. Its IUPAC name is ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+).

Molecular Properties

Compound Nameethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)
PubChem CID143722591
Molecular FormulaC7H12N3ORb
Molecular Weight239.66 g/mol
Exact Mass239.01
IUPAC Nameethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)
SMILESCC.CNc1cnc[n-]c1=O.[Rb+]
InChIInChI=1S/C5H7N3O.C2H6.Rb/c1-6-4-2-7-3-8-5(4)9;1-2;/h2-3,6H,1H3,(H,7,8,9);1-2H3;/q;;+1/p-1
InChIKeyXFVZJCWRSWJTLI-UHFFFAOYSA-M
XLogP-2.53
TPSA56.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 5-2.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)?
The IUPAC name of ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+) (CID 143722591) is ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+).
What is the SMILES notation for ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)?
The canonical SMILES for ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+) is CC.CNc1cnc[n-]c1=O.[Rb+].
What is the InChIKey of ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)?
The InChIKey is XFVZJCWRSWJTLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7N3O.C2H6.Rb/c1-6-4-2-7-3-8-5(4)9;1-2;/h2-3,6H,1H3,(H,7,8,9);1-2H3;/q;;+1/p-1.
What are the key properties of ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)?
ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+) has a molecular weight of 239.66 g/mol, XLogP of -2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+) is sourced from PubChem (CID 143722591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).