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

C10H18FN5O — CID 80918899

IUPAC2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C10H18FN5O/c1-3-10(4-2,6-17)15-8-7(11)5-13-9(14-8)16-12/h5,17H,3-4,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyLSECOQSGZDRGMF-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.86
Rot. Bonds6

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

2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 80918899) has the molecular formula C10H18FN5O and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID80918899
Molecular FormulaC10H18FN5O
Molecular Weight243.29 g/mol
Exact Mass243.15
IUPAC Name2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C10H18FN5O/c1-3-10(4-2,6-17)15-8-7(11)5-13-9(14-8)16-12/h5,17H,3-4,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyLSECOQSGZDRGMF-UHFFFAOYSA-N
XLogP0.86
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.86
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-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol (CID 80918899) is 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol is CCC(CC)(CO)Nc1nc(NN)ncc1F.
What is the InChIKey of 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is LSECOQSGZDRGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5O/c1-3-10(4-2,6-17)15-8-7(11)5-13-9(14-8)16-12/h5,17H,3-4,6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol?
2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 243.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 80918899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).