[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine

C14H18N4O — CID 81000967

IUPAC[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Oc2ccccc2C)n1
InChIInChI=1S/C14H18N4O/c1-4-12-16-13(18-15)10(3)14(17-12)19-11-8-6-5-7-9(11)2/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyNCHQIXJJULKLIW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds4

About [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine

[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 81000967) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID81000967
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(Oc2ccccc2C)n1
InChIInChI=1S/C14H18N4O/c1-4-12-16-13(18-15)10(3)14(17-12)19-11-8-6-5-7-9(11)2/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyNCHQIXJJULKLIW-UHFFFAOYSA-N
XLogP2.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
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-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine (CID 81000967) is [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(Oc2ccccc2C)n1.
What is the InChIKey of [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is NCHQIXJJULKLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-12-16-13(18-15)10(3)14(17-12)19-11-8-6-5-7-9(11)2/h5-8H,4,15H2,1-3H3,(H,16,17,18).
What are the key properties of [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine?
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81000967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).