2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine

C8H11ClFN5 — CID 86636985

IUPAC2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine
SMILESNNc1nc(Cl)nc(NC2CCC2)c1F
InChIInChI=1S/C8H11ClFN5/c9-8-13-6(12-4-2-1-3-4)5(10)7(14-8)15-11/h4H,1-3,11H2,(H2,12,13,14,15)
InChIKeyVLDZKNSJTGOEQJ-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.52
Rot. Bonds3

About 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine

2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine (PubChem CID 86636985) has the molecular formula C8H11ClFN5 and a molecular weight of 231.66 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine
PubChem CID86636985
Molecular FormulaC8H11ClFN5
Molecular Weight231.66 g/mol
Exact Mass231.07
IUPAC Name2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine
SMILESNNc1nc(Cl)nc(NC2CCC2)c1F
InChIInChI=1S/C8H11ClFN5/c9-8-13-6(12-4-2-1-3-4)5(10)7(14-8)15-11/h4H,1-3,11H2,(H2,12,13,14,15)
InChIKeyVLDZKNSJTGOEQJ-UHFFFAOYSA-N
XLogP1.52
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.52
H-Bond Donors ≤ 53
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-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-4-[(2R)-2,4-dimethyl-1-piperazinyl]-5-fluoro-6-hydrazinopyrimidine
CID 86636934
2-chloro-5-fluoro-6-(tetrahydro-2H-pyran-4-ylamino)-4(1H)-pyrimidinone hydrazone
CID 86636994
1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
CID 87210146
[2-Chloro-6-(2,4-dimethylpiperazin-1-yl)-5-fluoropyrimidin-4-yl]hydrazine
CID 90740815
(3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
CID 141239706
[2-chloro-5-fluoro-6-[(2S,3R)-2,3,4-trimethylpiperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 141303959
[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 141303962
[2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine
CID 141303963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine (CID 86636985) is 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine is NNc1nc(Cl)nc(NC2CCC2)c1F.
What is the InChIKey of 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine?
The InChIKey is VLDZKNSJTGOEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN5/c9-8-13-6(12-4-2-1-3-4)5(10)7(14-8)15-11/h4H,1-3,11H2,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine?
2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine has a molecular weight of 231.66 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-5-fluoro-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 86636985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).