tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine

C9H15K3N5O+3 — CID 68525096

IUPACtripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[K+].[K+].[K+]
InChIInChI=1S/C9H15N5O.3K/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;;/h6,11,15H,1-5,10H2;;;/q;3*+1/b11-9+;;;
InChIKeyFOUFBJRDTGLAAR-OOQPXJNPSA-N
MW326.55 g/mol
LogP-8.82
Rot. Bonds1

About tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine

tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 68525096) has the molecular formula C9H15K3N5O+3 and a molecular weight of 326.55 g/mol. Its IUPAC name is tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Nametripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID68525096
Molecular FormulaC9H15K3N5O+3
Molecular Weight326.55 g/mol
Exact Mass326.02
IUPAC Nametripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[K+].[K+].[K+]
InChIInChI=1S/C9H15N5O.3K/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;;/h6,11,15H,1-5,10H2;;;/q;3*+1/b11-9+;;;
InChIKeyFOUFBJRDTGLAAR-OOQPXJNPSA-N
XLogP-8.82
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 5-8.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine (CID 68525096) is tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine is [H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[K+].[K+].[K+].
What is the InChIKey of tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is FOUFBJRDTGLAAR-OOQPXJNPSA-N. The full InChI is InChI=1S/C9H15N5O.3K/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;;/h6,11,15H,1-5,10H2;;;/q;3*+1/b11-9+;;;.
What are the key properties of tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 326.55 g/mol, XLogP of -8.82, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 68525096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).