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

C18H16N4O2 — CID 135536508

IUPAC4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2ccc(O)cc2O)n1
InChIInChI=1S/C18H16N4O2/c1-12-9-16(13-5-3-2-4-6-13)21-18(20-12)22-19-11-14-7-8-15(23)10-17(14)24/h2-11,23-24H,1H3,(H,20,21,22)/b19-11+
InChIKeyMQOAVYBHCVMRBC-YBFXNURJSA-N
MW320.35 g/mol
LogP3.31
Rot. Bonds4

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

4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135536508) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135536508
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2ccc(O)cc2O)n1
InChIInChI=1S/C18H16N4O2/c1-12-9-16(13-5-3-2-4-6-13)21-18(20-12)22-19-11-14-7-8-15(23)10-17(14)24/h2-11,23-24H,1H3,(H,20,21,22)/b19-11+
InChIKeyMQOAVYBHCVMRBC-YBFXNURJSA-N
XLogP3.31
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
2-Hydroxy-5-methoxybenzaldehyde (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437629
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-[(E)-{2-[2-(pyridin-3-yl)quinazolin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650675
3,4-Dihydroxybenzaldehyde (4,6-diphenyl-2-pyrimidinyl)(methyl)hydrazone
CID 135425028
Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-
CID 386505
(6E)-6-(2-hydrazinyl-4-phenyl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one
CID 5217512
2-Hydroxybenzaldehyde [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl](methyl)hydrazone
CID 135403123
(E)-2-(4-(2-(2-hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-2-yl)phenol
CID 135443066
4-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-benzene-1,3-diol
CID 135443067
4-Nitro-2-[(4-phenyl-6-p-tolyl-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135443155

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135536508) is 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Cc1cc(-c2ccccc2)nc(N/N=C/c2ccc(O)cc2O)n1.
What is the InChIKey of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is MQOAVYBHCVMRBC-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-9-16(13-5-3-2-4-6-13)21-18(20-12)22-19-11-14-7-8-15(23)10-17(14)24/h2-11,23-24H,1H3,(H,20,21,22)/b19-11+.
What are the key properties of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 320.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135536508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).