4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C19H24N6O — CID 135501763

IUPAC4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H24N6O/c26-16-7-5-15(6-8-16)14-20-23-17-13-18(24-9-1-2-10-24)22-19(21-17)25-11-3-4-12-25/h5-8,13-14,26H,1-4,9-12H2,(H,21,22,23)/b20-14+
InChIKeyPSFGEHOWPXFVCJ-XSFVSMFZSA-N
MW352.44 g/mol
LogP2.83
Rot. Bonds5

About 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135501763) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135501763
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H24N6O/c26-16-7-5-15(6-8-16)14-20-23-17-13-18(24-9-1-2-10-24)22-19(21-17)25-11-3-4-12-25/h5-8,13-14,26H,1-4,9-12H2,(H,21,22,23)/b20-14+
InChIKeyPSFGEHOWPXFVCJ-XSFVSMFZSA-N
XLogP2.83
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135501763) is 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is PSFGEHOWPXFVCJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N6O/c26-16-7-5-15(6-8-16)14-20-23-17-13-18(24-9-1-2-10-24)22-19(21-17)25-11-3-4-12-25/h5-8,13-14,26H,1-4,9-12H2,(H,21,22,23)/b20-14+.
What are the key properties of 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 352.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135501763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).