4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol

C19H18N4O3 — CID 135854092

IUPAC4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(N/N=C\c2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H18N4O3/c1-11-9-17(22-19(21-11)14-5-3-4-6-16(14)25)23-20-10-13-7-8-15(24)12(2)18(13)26/h3-10,24-26H,1-2H3,(H,21,22,23)/b20-10-
InChIKeyRPAJLGIXQVWOSR-JMIUGGIZSA-N
MW350.38 g/mol
LogP3.32
Rot. Bonds4

About 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol

4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol (PubChem CID 135854092) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
PubChem CID135854092
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(N/N=C\c2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H18N4O3/c1-11-9-17(22-19(21-11)14-5-3-4-6-16(14)25)23-20-10-13-7-8-15(24)12(2)18(13)26/h3-10,24-26H,1-2H3,(H,21,22,23)/b20-10-
InChIKeyRPAJLGIXQVWOSR-JMIUGGIZSA-N
XLogP3.32
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541
2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135443069
2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472546
2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 136904721
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3754664
2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3099378
2,4-dibromo-6-[4-[(2E)-2-[(4-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536505
2,4-dibromo-6-[4-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536503
4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol
CID 136664462
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
2-[4-methyl-6-(3-pyrrol-1-ylpropylamino)pyrimidin-2-yl]phenol
CID 137293753
2-[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]phenol
CID 719251

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol (CID 135854092) is 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol is Cc1cc(N/N=C\c2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The InChIKey is RPAJLGIXQVWOSR-JMIUGGIZSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-9-17(22-19(21-11)14-5-3-4-6-16(14)25)23-20-10-13-7-8-15(24)12(2)18(13)26/h3-10,24-26H,1-2H3,(H,21,22,23)/b20-10-.
What are the key properties of 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol has a molecular weight of 350.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 135854092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).