[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine

C12H13FN4O — CID 102989643

IUPAC[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cc(F)ccc2C)nc(NN)n1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-9(13)6-10(7)18-11-5-8(2)15-12(16-11)17-14/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeySYFRKIKOPRGAEQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.31
Rot. Bonds3

About [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine

[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 102989643) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID102989643
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cc(F)ccc2C)nc(NN)n1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-9(13)6-10(7)18-11-5-8(2)15-12(16-11)17-14/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeySYFRKIKOPRGAEQ-UHFFFAOYSA-N
XLogP2.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine (CID 102989643) is [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(Oc2cc(F)ccc2C)nc(NN)n1.
What is the InChIKey of [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is SYFRKIKOPRGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-3-4-9(13)6-10(7)18-11-5-8(2)15-12(16-11)17-14/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 248.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 102989643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).