[6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine

C9H12FN5 — CID 66936187

IUPAC[6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(F)c(N2CC=CC2)n1
InChIInChI=1S/C9H12FN5/c1-6-12-8(14-11)7(10)9(13-6)15-4-2-3-5-15/h2-3H,4-5,11H2,1H3,(H,12,13,14)
InChIKeyKDOCXKVYOVKPML-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.59
Rot. Bonds2

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

[6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 66936187) has the molecular formula C9H12FN5 and a molecular weight of 209.23 g/mol. Its IUPAC name is [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine
PubChem CID66936187
Molecular FormulaC9H12FN5
Molecular Weight209.23 g/mol
Exact Mass209.11
IUPAC Name[6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(F)c(N2CC=CC2)n1
InChIInChI=1S/C9H12FN5/c1-6-12-8(14-11)7(10)9(13-6)15-4-2-3-5-15/h2-3H,4-5,11H2,1H3,(H,12,13,14)
InChIKeyKDOCXKVYOVKPML-UHFFFAOYSA-N
XLogP0.59
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine (CID 66936187) is [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(F)c(N2CC=CC2)n1.
What is the InChIKey of [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is KDOCXKVYOVKPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5/c1-6-12-8(14-11)7(10)9(13-6)15-4-2-3-5-15/h2-3H,4-5,11H2,1H3,(H,12,13,14).
What are the key properties of [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine?
[6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 209.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dihydropyrrol-1-yl)-5-fluoro-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66936187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).