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

C16H19N5O3 — CID 135443121

IUPAC4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nc(N/N=C/c2ccc(O)cc2O)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O3/c1-11-18-15(9-16(19-11)21-4-6-24-7-5-21)20-17-10-12-2-3-13(22)8-14(12)23/h2-3,8-10,22-23H,4-7H2,1H3,(H,18,19,20)/b17-10+
InChIKeyJLNMWZOAVAJRGI-LICLKQGHSA-N
MW329.36 g/mol
LogP1.48
Rot. Bonds4

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

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135443121) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135443121
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nc(N/N=C/c2ccc(O)cc2O)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O3/c1-11-18-15(9-16(19-11)21-4-6-24-7-5-21)20-17-10-12-2-3-13(22)8-14(12)23/h2-3,8-10,22-23H,4-7H2,1H3,(H,18,19,20)/b17-10+
InChIKeyJLNMWZOAVAJRGI-LICLKQGHSA-N
XLogP1.48
TPSA103.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 3091858
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2852856
4-bromo-2-[(E)-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135536456
4-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 3958657
2-[(Z)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 136714352
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135905107
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135443121) is 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is Cc1nc(N/N=C/c2ccc(O)cc2O)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is JLNMWZOAVAJRGI-LICLKQGHSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-18-15(9-16(19-11)21-4-6-24-7-5-21)20-17-10-12-2-3-13(22)8-14(12)23/h2-3,8-10,22-23H,4-7H2,1H3,(H,18,19,20)/b17-10+.
What are the key properties of 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 329.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135443121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).