5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine

C9H14FN5O — CID 153275335

IUPAC5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine
SMILES[H]/N=c1\c(F)c(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H14FN5O/c10-6-7(11)15(16)9(12)13-8(6)14-4-2-1-3-5-14/h11,16H,1-5H2,(H2,12,13)/b11-7+
InChIKeyKWMRILQTKCOXSK-YRNVUSSQSA-N
MW227.24 g/mol
LogP0.31
Rot. Bonds1

About 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine

5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 153275335) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID153275335
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine
SMILES[H]/N=c1\c(F)c(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H14FN5O/c10-6-7(11)15(16)9(12)13-8(6)14-4-2-1-3-5-14/h11,16H,1-5H2,(H2,12,13)/b11-7+
InChIKeyKWMRILQTKCOXSK-YRNVUSSQSA-N
XLogP0.31
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.31
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 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine (CID 153275335) is 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine is [H]/N=c1\c(F)c(N2CCCCC2)nc(N)n1O.
What is the InChIKey of 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is KWMRILQTKCOXSK-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H14FN5O/c10-6-7(11)15(16)9(12)13-8(6)14-4-2-1-3-5-14/h11,16H,1-5H2,(H2,12,13)/b11-7+.
What are the key properties of 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 227.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 153275335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).