4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

C19H24N6O4 — CID 135497971

IUPAC4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(O)c1
InChIInChI=1S/C19H24N6O4/c26-15-2-1-14(16(27)11-15)13-20-23-17-12-18(24-3-7-28-8-4-24)22-19(21-17)25-5-9-29-10-6-25/h1-2,11-13,26-27H,3-10H2,(H,21,22,23)/b20-13-
InChIKeyVTKMKUNXUMLCNH-MOSHPQCFSA-N
MW400.44 g/mol
LogP1.01
Rot. Bonds5

About 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135497971) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135497971
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Name4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(O)c1
InChIInChI=1S/C19H24N6O4/c26-15-2-1-14(16(27)11-15)13-20-23-17-12-18(24-3-7-28-8-4-24)22-19(21-17)25-5-9-29-10-6-25/h1-2,11-13,26-27H,3-10H2,(H,21,22,23)/b20-13-
InChIKeyVTKMKUNXUMLCNH-MOSHPQCFSA-N
XLogP1.01
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Related Compounds

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
4-{4-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9665138
4-[(6-Chloro-2-methyl-pyrimidin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135536449
2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-(4-Ethoxy-2-hydroxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 135443126
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
N-(2,4-Dimethoxy-benzylidene)-N'-(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)-hydrazine
CID 9589776
2-[(6-Morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-5-propoxy-phenol
CID 135443118
5-Ethoxy-2-[(6-morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-phenol
CID 135443119
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136180786
4-{1-[(6-Morpholin-4-yl-pyrimidin-4-yl)-hydrazono]-ethyl}-phenol
CID 135443115

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135497971) is 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N\Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(O)c1.
What is the InChIKey of 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is VTKMKUNXUMLCNH-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H24N6O4/c26-15-2-1-14(16(27)11-15)13-20-23-17-12-18(24-3-7-28-8-4-24)22-19(21-17)25-5-9-29-10-6-25/h1-2,11-13,26-27H,3-10H2,(H,21,22,23)/b20-13-.
What are the key properties of 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 400.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135497971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).