2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C16H19N5O2 — CID 135549744

IUPAC2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2ccccc2O)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O2/c1-12-10-15(19-16(18-12)21-6-8-23-9-7-21)20-17-11-13-4-2-3-5-14(13)22/h2-5,10-11,22H,6-9H2,1H3,(H,18,19,20)/b17-11+
InChIKeyBAMUUQRCURHGEE-GZTJUZNOSA-N
MW313.36 g/mol
LogP1.77
Rot. Bonds4

About 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135549744) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135549744
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2ccccc2O)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O2/c1-12-10-15(19-16(18-12)21-6-8-23-9-7-21)20-17-11-13-4-2-3-5-14(13)22/h2-5,10-11,22H,6-9H2,1H3,(H,18,19,20)/b17-11+
InChIKeyBAMUUQRCURHGEE-GZTJUZNOSA-N
XLogP1.77
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.77
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

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
4-{4-[(2E)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9635219
4-{4-[(2E)-2-(2,5-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9655300
4-{4-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9665138
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-(4-Butoxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 9589764
4-{4-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9610620
4-(4-Ethoxy-2-hydroxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 135443126
3-(6-(4-Hydroxycyclohexylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 50908575

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135549744) is 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is Cc1cc(N/N=C/c2ccccc2O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BAMUUQRCURHGEE-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12-10-15(19-16(18-12)21-6-8-23-9-7-21)20-17-11-13-4-2-3-5-14(13)22/h2-5,10-11,22H,6-9H2,1H3,(H,18,19,20)/b17-11+.
What are the key properties of 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 313.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135549744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).