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

C19H24N6O — CID 135425063

IUPAC2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H24N6O/c26-16-8-2-1-7-15(16)14-20-23-17-13-18(24-9-3-4-10-24)22-19(21-17)25-11-5-6-12-25/h1-2,7-8,13-14,26H,3-6,9-12H2,(H,21,22,23)/b20-14+
InChIKeyDQKPHLGVAIUODJ-XSFVSMFZSA-N
MW352.44 g/mol
LogP2.83
Rot. Bonds5

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

2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135425063) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135425063
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H24N6O/c26-16-8-2-1-7-15(16)14-20-23-17-13-18(24-9-3-4-10-24)22-19(21-17)25-11-5-6-12-25/h1-2,7-8,13-14,26H,3-6,9-12H2,(H,21,22,23)/b20-14+
InChIKeyDQKPHLGVAIUODJ-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_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
4-Methoxybenzaldehyde (2,6-di-1-pyrrolidinyl-4-pyrimidinyl)hydrazone
CID 5334618
3-Hydroxybenzaldehyde (2,6-di-1-pyrrolidinyl-4-pyrimidinyl)hydrazone
CID 9566583
6-[(2E)-2-[(2-Methoxyphenyl)methylidene]hydrazin-1-YL]-N2,N2,N4,N4-tetramethylpyrimidine-2,4-diamine
CID 9698414
2-[(6-Methoxy-pyrimidin-4-yl)-hydrazonomethyl]-phenol
CID 135421713
(E)-2-(4-(2-(2-hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-2-yl)phenol
CID 135443066
4-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,2-diol
CID 135466643
2-[4-(N'-Benzylidene-hydrazino)-6-methyl-pyrimidin-2-yl]-phenol
CID 135498026
2-{[6-(3-Methyl-5-phenyl-pyrazol-1-yl)-pyrimidin-4-yl]-hydrazonomethyl}-phenol
CID 135498029
4-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135501763
2-[(E)-{2-[2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135512322

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135425063) is 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is DQKPHLGVAIUODJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N6O/c26-16-8-2-1-7-15(16)14-20-23-17-13-18(24-9-3-4-10-24)22-19(21-17)25-11-5-6-12-25/h1-2,7-8,13-14,26H,3-6,9-12H2,(H,21,22,23)/b20-14+.
What are the key properties of 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-[(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 2-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135425063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).