[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine

C14H18N4O — CID 80916646

IUPAC[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(C)c(C)c(Oc2cc(NN)nc(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-8-5-9(2)10(3)12(6-8)19-14-7-13(18-15)16-11(4)17-14/h5-7H,15H2,1-4H3,(H,16,17,18)
InChIKeyFNZJQOOKPBVYOH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.79
Rot. Bonds3

About [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine

[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80916646) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80916646
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(C)c(C)c(Oc2cc(NN)nc(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-8-5-9(2)10(3)12(6-8)19-14-7-13(18-15)16-11(4)17-14/h5-7H,15H2,1-4H3,(H,16,17,18)
InChIKeyFNZJQOOKPBVYOH-UHFFFAOYSA-N
XLogP2.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.79
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-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine (CID 80916646) is [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine is Cc1cc(C)c(C)c(Oc2cc(NN)nc(C)n2)c1.
What is the InChIKey of [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is FNZJQOOKPBVYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-5-9(2)10(3)12(6-8)19-14-7-13(18-15)16-11(4)17-14/h5-7H,15H2,1-4H3,(H,16,17,18).
What are the key properties of [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80916646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).