2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

C18H16N4O2 — CID 135443066

IUPAC2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H16N4O2/c1-12-10-17(22-19-11-13-6-2-4-8-15(13)23)21-18(20-12)14-7-3-5-9-16(14)24/h2-11,23-24H,1H3,(H,20,21,22)/b19-11+
InChIKeyRAAATBIUJWVKDA-YBFXNURJSA-N
MW320.35 g/mol
LogP3.31
Rot. Bonds4

About 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 135443066) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID135443066
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C/c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H16N4O2/c1-12-10-17(22-19-11-13-6-2-4-8-15(13)23)21-18(20-12)14-7-3-5-9-16(14)24/h2-11,23-24H,1H3,(H,20,21,22)/b19-11+
InChIKeyRAAATBIUJWVKDA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
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-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
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
2-(2-Amino-6-phenylpyrimidin-4-yl)phenol
CID 359838
4-(5-Allyl-6-methyl-2-phenyl-pyrimidin-4-ylamino)-phenol
CID 766801
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-hydroxyphenyl)pyrimidin-4-yl)acetamide
CID 136117757
2-(4-Methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)phenol
CID 659356

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 135443066) is 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is Cc1cc(N/N=C/c2ccccc2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is RAAATBIUJWVKDA-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-10-17(22-19-11-13-6-2-4-8-15(13)23)21-18(20-12)14-7-3-5-9-16(14)24/h2-11,23-24H,1H3,(H,20,21,22)/b19-11+.
What are the key properties of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol 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 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135443066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).