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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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).