[2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine

C7H7ClF3N5 — CID 141303987

IUPAC[2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cl)nc(N2CC(F)(F)C2)c1F
InChIInChI=1S/C7H7ClF3N5/c8-6-13-4(15-12)3(9)5(14-6)16-1-7(10,11)2-16/h1-2,12H2,(H,13,14,15)
InChIKeyXOEPCZVQGZFCKR-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.01
Rot. Bonds2

About [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine

[2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine (PubChem CID 141303987) has the molecular formula C7H7ClF3N5 and a molecular weight of 253.61 g/mol. Its IUPAC name is [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine
PubChem CID141303987
Molecular FormulaC7H7ClF3N5
Molecular Weight253.61 g/mol
Exact Mass253.03
IUPAC Name[2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cl)nc(N2CC(F)(F)C2)c1F
InChIInChI=1S/C7H7ClF3N5/c8-6-13-4(15-12)3(9)5(14-6)16-1-7(10,11)2-16/h1-2,12H2,(H,13,14,15)
InChIKeyXOEPCZVQGZFCKR-UHFFFAOYSA-N
XLogP1.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[6-(Azetidin-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine
CID 55281035
4-(1-Azetidinyl)-2-ethyl-5-fluoro-6-hydrazinopyrimidine
CID 66936000
2-(Difluoromethyl)-5-fluoro-4-hydrazino-6-(4-methyl-1-piperazinyl)pyrimidine
CID 66936083
2-Chloro-5-fluoro-4-hydrazino-6-(4-methyl-1-piperazinyl)pyrimidine
CID 86636919
2-chloro-5-fluoro-6-hydrazino-N-(1-methylethyl)-4-pyrimidinamine
CID 86636922
2-chloro-6-(cyclobutylamino)-5-fluoro-4(1H)-pyrimidinone hydrazone
CID 86636985
2-Chloro-5-fluoro-4-hydrazino-6-[3-methyl-3-(1-pyrrolidinyl)-1-azetidinyl]pyrimidine
CID 86636992
5-fluoro-2-(fluoromethyl)-6-hydrazinyl-N,N-dimethylpyrimidin-4-amine
CID 141303961
[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 141303962
N-ethyl-5-fluoro-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
CID 141303965
3-[(2-Chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 141303977
[6-(Azetidin-1-yl)-2-chloro-5-fluoropyrimidin-4-yl]hydrazine
CID 141304021

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine?
The IUPAC name of [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine (CID 141303987) is [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine is NNc1nc(Cl)nc(N2CC(F)(F)C2)c1F.
What is the InChIKey of [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine?
The InChIKey is XOEPCZVQGZFCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N5/c8-6-13-4(15-12)3(9)5(14-6)16-1-7(10,11)2-16/h1-2,12H2,(H,13,14,15).
What are the key properties of [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine?
[2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine has a molecular weight of 253.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 141303987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).