3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C10H16FN5O2 — CID 106103692

IUPAC3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(NN)ncc1F
InChIInChI=1S/C10H16FN5O2/c1-6-10(17,2-3-18-6)5-14-8-7(11)4-13-9(15-8)16-12/h4,6,17H,2-3,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyPQNYIFZFGVOTLR-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.15
Rot. Bonds4

About 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103692) has the molecular formula C10H16FN5O2 and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103692
Molecular FormulaC10H16FN5O2
Molecular Weight257.27 g/mol
Exact Mass257.13
IUPAC Name3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(NN)ncc1F
InChIInChI=1S/C10H16FN5O2/c1-6-10(17,2-3-18-6)5-14-8-7(11)4-13-9(15-8)16-12/h4,6,17H,2-3,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyPQNYIFZFGVOTLR-UHFFFAOYSA-N
XLogP-0.15
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106103692) is 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1nc(NN)ncc1F.
What is the InChIKey of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is PQNYIFZFGVOTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O2/c1-6-10(17,2-3-18-6)5-14-8-7(11)4-13-9(15-8)16-12/h4,6,17H,2-3,5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 257.27 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).