1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione

C19H17N3O4 — CID 4647898

IUPAC1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/c3ccc(O)cc3)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C19H17N3O4/c1-11-3-8-16(12(2)9-11)22-18(25)15(17(24)21-19(22)26)10-20-13-4-6-14(23)7-5-13/h3-10,23,25H,1-2H3,(H,21,24,26)/b20-10+
InChIKeyJMDPPVLDKUDEBE-KEBDBYFISA-N
MW351.36 g/mol
LogP2.30
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione

1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 4647898) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID4647898
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/c3ccc(O)cc3)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C19H17N3O4/c1-11-3-8-16(12(2)9-11)22-18(25)15(17(24)21-19(22)26)10-20-13-4-6-14(23)7-5-13/h3-10,23,25H,1-2H3,(H,21,24,26)/b20-10+
InChIKeyJMDPPVLDKUDEBE-KEBDBYFISA-N
XLogP2.30
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione (CID 4647898) is 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/c3ccc(O)cc3)c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is JMDPPVLDKUDEBE-KEBDBYFISA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-3-8-16(12(2)9-11)22-18(25)15(17(24)21-19(22)26)10-20-13-4-6-14(23)7-5-13/h3-10,23,25H,1-2H3,(H,21,24,26)/b20-10+.
What are the key properties of 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione?
1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 351.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4647898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).