[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine

C16H20N4O — CID 80969533

IUPAC[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(OC/C=C/c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-12(2)16-18-14(20-17)11-15(19-16)21-10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10,17H2,1-2H3,(H,18,19,20)/b9-6+
InChIKeyDNXDUJDVUJUKJX-RMKNXTFCSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds6

About [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80969533) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80969533
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(OC/C=C/c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-12(2)16-18-14(20-17)11-15(19-16)21-10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10,17H2,1-2H3,(H,18,19,20)/b9-6+
InChIKeyDNXDUJDVUJUKJX-RMKNXTFCSA-N
XLogP2.98
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
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 [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80969533) is [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(OC/C=C/c2ccccc2)n1.
What is the InChIKey of [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is DNXDUJDVUJUKJX-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)16-18-14(20-17)11-15(19-16)21-10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10,17H2,1-2H3,(H,18,19,20)/b9-6+.
What are the key properties of [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 284.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).