[6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine

C13H23FN6 — CID 141303966

IUPAC[6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine
SMILESCC[C@@H]1CN(c2nc(C)nc(NN)c2F)[C@H](C)CN1C
InChIInChI=1S/C13H23FN6/c1-5-10-7-20(8(2)6-19(10)4)13-11(14)12(18-15)16-9(3)17-13/h8,10H,5-7,15H2,1-4H3,(H,16,17,18)/t8-,10-/m1/s1
InChIKeyUMGXVMPRMXYTCF-PSASIEDQSA-N
MW282.37 g/mol
LogP1.13
Rot. Bonds3

About [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine

[6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 141303966) has the molecular formula C13H23FN6 and a molecular weight of 282.37 g/mol. Its IUPAC name is [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine
PubChem CID141303966
Molecular FormulaC13H23FN6
Molecular Weight282.37 g/mol
Exact Mass282.20
IUPAC Name[6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine
SMILESCC[C@@H]1CN(c2nc(C)nc(NN)c2F)[C@H](C)CN1C
InChIInChI=1S/C13H23FN6/c1-5-10-7-20(8(2)6-19(10)4)13-11(14)12(18-15)16-9(3)17-13/h8,10H,5-7,15H2,1-4H3,(H,16,17,18)/t8-,10-/m1/s1
InChIKeyUMGXVMPRMXYTCF-PSASIEDQSA-N
XLogP1.13
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
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 [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine (CID 141303966) is [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine is CC[C@@H]1CN(c2nc(C)nc(NN)c2F)[C@H](C)CN1C.
What is the InChIKey of [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is UMGXVMPRMXYTCF-PSASIEDQSA-N. The full InChI is InChI=1S/C13H23FN6/c1-5-10-7-20(8(2)6-19(10)4)13-11(14)12(18-15)16-9(3)17-13/h8,10H,5-7,15H2,1-4H3,(H,16,17,18)/t8-,10-/m1/s1.
What are the key properties of [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
[6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 282.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,5R)-5-ethyl-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 141303966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).