[1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

C9H14FN5O — CID 80898719

IUPAC[1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNNc1ncc(F)c(N2CCCC2CO)n1
InChIInChI=1S/C9H14FN5O/c10-7-4-12-9(14-11)13-8(7)15-3-1-2-6(15)5-16/h4,6,16H,1-3,5,11H2,(H,12,13,14)
InChIKeyOICAUBBQOMUWPY-UHFFFAOYSA-N
MW227.24 g/mol
LogP-0.14
Rot. Bonds3

About [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 80898719) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID80898719
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name[1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNNc1ncc(F)c(N2CCCC2CO)n1
InChIInChI=1S/C9H14FN5O/c10-7-4-12-9(14-11)13-8(7)15-3-1-2-6(15)5-16/h4,6,16H,1-3,5,11H2,(H,12,13,14)
InChIKeyOICAUBBQOMUWPY-UHFFFAOYSA-N
XLogP-0.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.14
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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Related Compounds

(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979550
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]methanol
CID 70976626
2-[(5-Fluoro-2-hydrazinylpyrimidin-4-yl)-propylamino]ethanol
CID 80896549
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
CID 118246476
[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 141304008
(3R*,4R*)-4-amino-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-ol
CID 70773866
(1-(5-Fluoropyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 71301866
(1-(2-Chloro-5-fluoro-pyrimidin-4-YL)-pyrrolidin-2-YL)-methanol
CID 79081347
[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80793920
[1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80793921
[1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80794351

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 80898719) is [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is NNc1ncc(F)c(N2CCCC2CO)n1.
What is the InChIKey of [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is OICAUBBQOMUWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5O/c10-7-4-12-9(14-11)13-8(7)15-3-1-2-6(15)5-16/h4,6,16H,1-3,5,11H2,(H,12,13,14).
What are the key properties of [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 227.24 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80898719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).