[2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine

C11H19FN6 — CID 66935975

IUPAC[2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(F)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H19FN6/c1-3-8-14-10(16-13)9(12)11(15-8)18-6-4-17(2)5-7-18/h3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyBFVDKGPADGKPEP-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.22
Rot. Bonds3

About [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine

[2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 66935975) has the molecular formula C11H19FN6 and a molecular weight of 254.31 g/mol. Its IUPAC name is [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID66935975
Molecular FormulaC11H19FN6
Molecular Weight254.31 g/mol
Exact Mass254.17
IUPAC Name[2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(F)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H19FN6/c1-3-8-14-10(16-13)9(12)11(15-8)18-6-4-17(2)5-7-18/h3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyBFVDKGPADGKPEP-UHFFFAOYSA-N
XLogP0.22
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.22
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 [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine (CID 66935975) is [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine is CCc1nc(NN)c(F)c(N2CCN(C)CC2)n1.
What is the InChIKey of [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is BFVDKGPADGKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN6/c1-3-8-14-10(16-13)9(12)11(15-8)18-6-4-17(2)5-7-18/h3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
[2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 254.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66935975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).