5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine

C9H14FN5O — CID 11564847

IUPAC5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)c(F)c(N)n1O
InChIInChI=1S/C9H14FN5O/c10-6-7(11)15(16)9(12)13-8(6)14-4-2-1-3-5-14/h12,16H,1-5,11H2/b12-9+
InChIKeyLZSSWAQLUHBGPN-FMIVXFBMSA-N
MW227.24 g/mol
LogP0.31
Rot. Bonds1

About 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine

5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 11564847) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID11564847
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)c(F)c(N)n1O
InChIInChI=1S/C9H14FN5O/c10-6-7(11)15(16)9(12)13-8(6)14-4-2-1-3-5-14/h12,16H,1-5,11H2/b12-9+
InChIKeyLZSSWAQLUHBGPN-FMIVXFBMSA-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'}

Analyze 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine (CID 11564847) is 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine is [H]/N=c1\nc(N2CCCCC2)c(F)c(N)n1O.
What is the InChIKey of 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is LZSSWAQLUHBGPN-FMIVXFBMSA-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/h12,16H,1-5,11H2/b12-9+.
What are the key properties of 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-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-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 11564847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).