2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol

C9H16FN5O — CID 80896549

IUPAC2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-2-3-15(4-5-16)8-7(10)6-12-9(13-8)14-11/h6,16H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyZEVSWCROPPCKFG-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.11
Rot. Bonds6

About 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol (PubChem CID 80896549) has the molecular formula C9H16FN5O and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol
PubChem CID80896549
Molecular FormulaC9H16FN5O
Molecular Weight229.26 g/mol
Exact Mass229.13
IUPAC Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-2-3-15(4-5-16)8-7(10)6-12-9(13-8)14-11/h6,16H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyZEVSWCROPPCKFG-UHFFFAOYSA-N
XLogP0.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
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)-propylamino]ethanol?
The IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol (CID 80896549) is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1nc(NN)ncc1F.
What is the InChIKey of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is ZEVSWCROPPCKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5O/c1-2-3-15(4-5-16)8-7(10)6-12-9(13-8)14-11/h6,16H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol?
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 229.26 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 80896549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).