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

C9H16FN5O — CID 80917628

IUPAC2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-3-9(2,5-16)14-7-6(10)4-12-8(13-7)15-11/h4,16H,3,5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyMEUQNBJNFKUXNM-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.47
Rot. Bonds5

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

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 80917628) has the molecular formula C9H16FN5O and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID80917628
Molecular FormulaC9H16FN5O
Molecular Weight229.26 g/mol
Exact Mass229.13
IUPAC Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-3-9(2,5-16)14-7-6(10)4-12-8(13-7)15-11/h4,16H,3,5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyMEUQNBJNFKUXNM-UHFFFAOYSA-N
XLogP0.47
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.47
H-Bond Donors ≤ 54
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)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 80917628) is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1nc(NN)ncc1F.
What is the InChIKey of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is MEUQNBJNFKUXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5O/c1-3-9(2,5-16)14-7-6(10)4-12-8(13-7)15-11/h4,16H,3,5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 229.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 80917628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).