5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol

C11H16FN5O — CID 66936092

IUPAC5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol
SMILESCc1nc(NN)c(F)c(N2CC(O)C3(CC3)C2)n1
InChIInChI=1S/C11H16FN5O/c1-6-14-9(16-13)8(12)10(15-6)17-4-7(18)11(5-17)2-3-11/h7,18H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyLOQVVEBKVFQZMN-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.17
Rot. Bonds2

About 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol

5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol (PubChem CID 66936092) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol
PubChem CID66936092
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol
SMILESCc1nc(NN)c(F)c(N2CC(O)C3(CC3)C2)n1
InChIInChI=1S/C11H16FN5O/c1-6-14-9(16-13)8(12)10(15-6)17-4-7(18)11(5-17)2-3-11/h7,18H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyLOQVVEBKVFQZMN-UHFFFAOYSA-N
XLogP0.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.17
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 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol (CID 66936092) is 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol is Cc1nc(NN)c(F)c(N2CC(O)C3(CC3)C2)n1.
What is the InChIKey of 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is LOQVVEBKVFQZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-6-14-9(16-13)8(12)10(15-6)17-4-7(18)11(5-17)2-3-11/h7,18H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol?
5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 253.28 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 66936092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).