[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

C9H13ClFN5O — CID 141304008

IUPAC[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNNc1nc(Cl)nc(N2CCC[C@H]2CO)c1F
InChIInChI=1S/C9H13ClFN5O/c10-9-13-7(15-12)6(11)8(14-9)16-3-1-2-5(16)4-17/h5,17H,1-4,12H2,(H,13,14,15)/t5-/m0/s1
InChIKeyWULCHUPQXIFMMI-YFKPBYRVSA-N
MW261.69 g/mol
LogP0.52
Rot. Bonds3

About [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 141304008) has the molecular formula C9H13ClFN5O and a molecular weight of 261.69 g/mol. Its IUPAC name is [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID141304008
Molecular FormulaC9H13ClFN5O
Molecular Weight261.69 g/mol
Exact Mass261.08
IUPAC Name[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNNc1nc(Cl)nc(N2CCC[C@H]2CO)c1F
InChIInChI=1S/C9H13ClFN5O/c10-9-13-7(15-12)6(11)8(14-9)16-3-1-2-5(16)4-17/h5,17H,1-4,12H2,(H,13,14,15)/t5-/m0/s1
InChIKeyWULCHUPQXIFMMI-YFKPBYRVSA-N
XLogP0.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 50.52
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 [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 141304008) is [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is NNc1nc(Cl)nc(N2CCC[C@H]2CO)c1F.
What is the InChIKey of [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is WULCHUPQXIFMMI-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H13ClFN5O/c10-9-13-7(15-12)6(11)8(14-9)16-3-1-2-5(16)4-17/h5,17H,1-4,12H2,(H,13,14,15)/t5-/m0/s1.
What are the key properties of [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 261.69 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 141304008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).