3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C10H16FN5O — CID 80921680

IUPAC3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1nc(NN)ncc1F
InChIInChI=1S/C10H16FN5O/c1-16(5-6-2-7(17)3-6)9-8(11)4-13-10(14-9)15-12/h4,6-7,17H,2-3,5,12H2,1H3,(H,13,14,15)
InChIKeyJDUMSDDGGLMLNL-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.11
Rot. Bonds4

About 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80921680) has the molecular formula C10H16FN5O and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80921680
Molecular FormulaC10H16FN5O
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Name3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1nc(NN)ncc1F
InChIInChI=1S/C10H16FN5O/c1-16(5-6-2-7(17)3-6)9-8(11)4-13-10(14-9)15-12/h4,6-7,17H,2-3,5,12H2,1H3,(H,13,14,15)
InChIKeyJDUMSDDGGLMLNL-UHFFFAOYSA-N
XLogP0.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
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 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80921680) is 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1nc(NN)ncc1F.
What is the InChIKey of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is JDUMSDDGGLMLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O/c1-16(5-6-2-7(17)3-6)9-8(11)4-13-10(14-9)15-12/h4,6-7,17H,2-3,5,12H2,1H3,(H,13,14,15).
What are the key properties of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 241.27 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80921680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).