3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

C9H16FN5OS — CID 106163723

IUPAC3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5OS/c1-5(7(4-16)17-2)13-8-6(10)3-12-9(14-8)15-11/h3,5,7,16H,4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyWFXKLOOBMJYNLO-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.43
Rot. Bonds6

About 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163723) has the molecular formula C9H16FN5OS and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163723
Molecular FormulaC9H16FN5OS
Molecular Weight261.33 g/mol
Exact Mass261.11
IUPAC Name3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5OS/c1-5(7(4-16)17-2)13-8-6(10)3-12-9(14-8)15-11/h3,5,7,16H,4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyWFXKLOOBMJYNLO-UHFFFAOYSA-N
XLogP0.43
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.43
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]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106163723) is 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1nc(NN)ncc1F.
What is the InChIKey of 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is WFXKLOOBMJYNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5OS/c1-5(7(4-16)17-2)13-8-6(10)3-12-9(14-8)15-11/h3,5,7,16H,4,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 0.43, 6 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]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).