[2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine

C16H18N4O — CID 80969534

IUPAC[2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OC/C=C/c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C16H18N4O/c17-20-14-11-15(19-16(18-14)13-8-9-13)21-10-4-7-12-5-2-1-3-6-12/h1-7,11,13H,8-10,17H2,(H,18,19,20)/b7-4+
InChIKeyRTWJSSJHSUGXQB-QPJJXVBHSA-N
MW282.35 g/mol
LogP2.73
Rot. Bonds6

About [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80969534) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine
PubChem CID80969534
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OC/C=C/c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C16H18N4O/c17-20-14-11-15(19-16(18-14)13-8-9-13)21-10-4-7-12-5-2-1-3-6-12/h1-7,11,13H,8-10,17H2,(H,18,19,20)/b7-4+
InChIKeyRTWJSSJHSUGXQB-QPJJXVBHSA-N
XLogP2.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.73
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 [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine (CID 80969534) is [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine is NNc1cc(OC/C=C/c2ccccc2)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is RTWJSSJHSUGXQB-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H18N4O/c17-20-14-11-15(19-16(18-14)13-8-9-13)21-10-4-7-12-5-2-1-3-6-12/h1-7,11,13H,8-10,17H2,(H,18,19,20)/b7-4+.
What are the key properties of [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 282.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).