4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine

C13H15N5O — CID 80911860

IUPAC4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
SMILESNNc1cc(OC/C=C/c2ccccc2)nc(N)n1
InChIInChI=1S/C13H15N5O/c14-13-16-11(18-15)9-12(17-13)19-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8,15H2,(H3,14,16,17,18)/b7-4+
InChIKeyAZLORXHAZITDRC-QPJJXVBHSA-N
MW257.30 g/mol
LogP1.44
Rot. Bonds5

About 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine

4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine (PubChem CID 80911860) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
PubChem CID80911860
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
SMILESNNc1cc(OC/C=C/c2ccccc2)nc(N)n1
InChIInChI=1S/C13H15N5O/c14-13-16-11(18-15)9-12(17-13)19-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8,15H2,(H3,14,16,17,18)/b7-4+
InChIKeyAZLORXHAZITDRC-QPJJXVBHSA-N
XLogP1.44
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
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 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine (CID 80911860) is 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine is NNc1cc(OC/C=C/c2ccccc2)nc(N)n1.
What is the InChIKey of 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine?
The InChIKey is AZLORXHAZITDRC-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H15N5O/c14-13-16-11(18-15)9-12(17-13)19-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8,15H2,(H3,14,16,17,18)/b7-4+.
What are the key properties of 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine?
4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine has a molecular weight of 257.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine is sourced from PubChem (CID 80911860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).