2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

C11H18FN5O — CID 102640251

IUPAC2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(NN)ncc1F)C1CCCCC1O
InChIInChI=1S/C11H18FN5O/c1-17(8-4-2-3-5-9(8)18)10-7(12)6-14-11(15-10)16-13/h6,8-9,18H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyUECXQVQDEDGWGU-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.64
Rot. Bonds3

About 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102640251) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102640251
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(NN)ncc1F)C1CCCCC1O
InChIInChI=1S/C11H18FN5O/c1-17(8-4-2-3-5-9(8)18)10-7(12)6-14-11(15-10)16-13/h6,8-9,18H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyUECXQVQDEDGWGU-UHFFFAOYSA-N
XLogP0.64
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.64
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)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (CID 102640251) is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1nc(NN)ncc1F)C1CCCCC1O.
What is the InChIKey of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is UECXQVQDEDGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-17(8-4-2-3-5-9(8)18)10-7(12)6-14-11(15-10)16-13/h6,8-9,18H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 255.30 g/mol, XLogP of 0.64, 3 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)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).