[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine

C15H20N4O — CID 80917311

IUPAC[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H20N4O/c1-10-9-17-14(19-16)18-13(10)20-12-8-6-5-7-11(12)15(2,3)4/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyORRZKEIPTDRWOP-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.16
Rot. Bonds3

About [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine

[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80917311) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80917311
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H20N4O/c1-10-9-17-14(19-16)18-13(10)20-12-8-6-5-7-11(12)15(2,3)4/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyORRZKEIPTDRWOP-UHFFFAOYSA-N
XLogP3.16
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.16
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-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine (CID 80917311) is [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1Oc1ccccc1C(C)(C)C.
What is the InChIKey of [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is ORRZKEIPTDRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-9-17-14(19-16)18-13(10)20-12-8-6-5-7-11(12)15(2,3)4/h5-9H,16H2,1-4H3,(H,17,18,19).
What are the key properties of [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 272.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80917311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).