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

C8H14FN5O — CID 80906774

IUPAC2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C8H14FN5O/c1-2-5(4-15)12-7-6(9)3-11-8(13-7)14-10/h3,5,15H,2,4,10H2,1H3,(H2,11,12,13,14)
InChIKeyUCYGTSAMVMEZOT-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.08
Rot. Bonds5

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

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 80906774) has the molecular formula C8H14FN5O and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID80906774
Molecular FormulaC8H14FN5O
Molecular Weight215.23 g/mol
Exact Mass215.12
IUPAC Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C8H14FN5O/c1-2-5(4-15)12-7-6(9)3-11-8(13-7)14-10/h3,5,15H,2,4,10H2,1H3,(H2,11,12,13,14)
InChIKeyUCYGTSAMVMEZOT-UHFFFAOYSA-N
XLogP0.08
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.08
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]butan-1-ol?
The IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol (CID 80906774) is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1nc(NN)ncc1F.
What is the InChIKey of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is UCYGTSAMVMEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5O/c1-2-5(4-15)12-7-6(9)3-11-8(13-7)14-10/h3,5,15H,2,4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol?
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 215.23 g/mol, XLogP of 0.08, 5 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]butan-1-ol is sourced from PubChem (CID 80906774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).