2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol

C10H16FN5O — CID 80919270

IUPAC2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1ncc(F)c(NC2CCCCC2O)n1
InChIInChI=1S/C10H16FN5O/c11-6-5-13-10(16-12)15-9(6)14-7-3-1-2-4-8(7)17/h5,7-8,17H,1-4,12H2,(H2,13,14,15,16)
InChIKeyVJOVFSXUEXQZCC-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.62
Rot. Bonds3

About 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 80919270) has the molecular formula C10H16FN5O and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID80919270
Molecular FormulaC10H16FN5O
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1ncc(F)c(NC2CCCCC2O)n1
InChIInChI=1S/C10H16FN5O/c11-6-5-13-10(16-12)15-9(6)14-7-3-1-2-4-8(7)17/h5,7-8,17H,1-4,12H2,(H2,13,14,15,16)
InChIKeyVJOVFSXUEXQZCC-UHFFFAOYSA-N
XLogP0.62
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 80919270) is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is NNc1ncc(F)c(NC2CCCCC2O)n1.
What is the InChIKey of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is VJOVFSXUEXQZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O/c11-6-5-13-10(16-12)15-9(6)14-7-3-1-2-4-8(7)17/h5,7-8,17H,1-4,12H2,(H2,13,14,15,16).
What are the key properties of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 241.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80919270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).