6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione

C19H18N4O3 — CID 136704981

IUPAC6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(C=NNc3ccccc3C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H18N4O3/c1-12-6-5-8-14(10-12)23-18(25)15(17(24)21-19(23)26)11-20-22-16-9-4-3-7-13(16)2/h3-11,22,25H,1-2H3,(H,21,24,26)
InChIKeyRYCHBKZBTMHOQV-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.29
Rot. Bonds4

About 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione

6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (PubChem CID 136704981) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
PubChem CID136704981
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(C=NNc3ccccc3C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H18N4O3/c1-12-6-5-8-14(10-12)23-18(25)15(17(24)21-19(23)26)11-20-22-16-9-4-3-7-13(16)2/h3-11,22,25H,1-2H3,(H,21,24,26)
InChIKeyRYCHBKZBTMHOQV-UHFFFAOYSA-N
XLogP2.29
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 3113249
1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 135715871
6-hydroxy-5-[(naphthalen-1-ylhydrazinylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 137070210
6-hydroxy-5-[(3-methylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2840891
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4583946
6-hydroxy-1-(3-methylphenyl)-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 1202925
1-(2,4-dimethylphenyl)-5-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 135607276
6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 135679843
6-hydroxy-5-[[4-(2-hydroxyethylsulfonyl)phenyl]iminomethyl]-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 1087260
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
[(E)-[1-(3,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135822374
5-[C-ethyl-N-(2-methylanilino)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3839935

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (CID 136704981) is 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(C=NNc3ccccc3C)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The InChIKey is RYCHBKZBTMHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-6-5-8-14(10-12)23-18(25)15(17(24)21-19(23)26)11-20-22-16-9-4-3-7-13(16)2/h3-11,22,25H,1-2H3,(H,21,24,26).
What are the key properties of 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 136704981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).