[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine

C14H18N4O — CID 62717068

IUPAC[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(COc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-2-6-11-9-13(18-15)17-14(16-11)10-19-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10,15H2,1H3,(H,16,17,18)
InChIKeyFRRUMOYZQNQZBF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.29
Rot. Bonds6

About [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine

[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 62717068) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
PubChem CID62717068
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(COc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-2-6-11-9-13(18-15)17-14(16-11)10-19-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10,15H2,1H3,(H,16,17,18)
InChIKeyFRRUMOYZQNQZBF-UHFFFAOYSA-N
XLogP2.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.29
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-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine (CID 62717068) is [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(COc2ccccc2)n1.
What is the InChIKey of [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is FRRUMOYZQNQZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-6-11-9-13(18-15)17-14(16-11)10-19-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10,15H2,1H3,(H,16,17,18).
What are the key properties of [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine?
[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62717068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).