1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione

C19H18N4O3 — CID 135469873

IUPAC1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/Nc3ccccc3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C19H18N4O3/c1-12-8-9-15(10-13(12)2)23-18(25)16(17(24)21-19(23)26)11-20-22-14-6-4-3-5-7-14/h3-11,22,25H,1-2H3,(H,21,24,26)/b20-11+
InChIKeyUKKGVPHKKBOLKP-RGVLZGJSSA-N
MW350.38 g/mol
LogP2.29
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione

1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135469873) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione
PubChem CID135469873
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/Nc3ccccc3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C19H18N4O3/c1-12-8-9-15(10-13(12)2)23-18(25)16(17(24)21-19(23)26)11-20-22-14-6-4-3-5-7-14/h3-11,22,25H,1-2H3,(H,21,24,26)/b20-11+
InChIKeyUKKGVPHKKBOLKP-RGVLZGJSSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione (CID 135469873) is 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/Nc3ccccc3)c(=O)[nH]c2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is UKKGVPHKKBOLKP-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-8-9-15(10-13(12)2)23-18(25)16(17(24)21-19(23)26)11-20-22-14-6-4-3-5-7-14/h3-11,22,25H,1-2H3,(H,21,24,26)/b20-11+.
What are the key properties of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)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 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135469873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).