6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione

C20H15N3O3 — CID 899947

IUPAC6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(C=C3C=c4ccccc4=N3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H15N3O3/c1-12-6-8-15(9-7-12)23-19(25)16(18(24)22-20(23)26)11-14-10-13-4-2-3-5-17(13)21-14/h2-11,25H,1H3,(H,22,24,26)
InChIKeyITLKHYNPLUHDJO-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.99
Rot. Bonds2

About 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione

6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione (PubChem CID 899947) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
PubChem CID899947
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(C=C3C=c4ccccc4=N3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H15N3O3/c1-12-6-8-15(9-7-12)23-19(25)16(18(24)22-20(23)26)11-14-10-13-4-2-3-5-17(13)21-14/h2-11,25H,1H3,(H,22,24,26)
InChIKeyITLKHYNPLUHDJO-UHFFFAOYSA-N
XLogP0.99
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)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

Related Compounds

6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione
CID 137065643
6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135614189
1-(3-bromophenyl)-6-hydroxy-5-(indol-2-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1325639
6-hydroxy-1-(4-methylphenyl)-5-[(E)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135469953
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 939765
6-hydroxy-5-(indol-2-ylidenemethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 1375920
5-[(E)-[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 135821587
5-[(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 1107248
1-(3-chlorophenyl)-6-hydroxy-5-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]pyrimidine-2,4-dione
CID 1022889
6-hydroxy-5-[(E)-[1-(4-methoxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-1-phenylpyrimidine-2,4-dione
CID 135688552
6-hydroxy-5-[5-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]penta-1,3,4-trienyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 91358217
5-[(E)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 135572146

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione (CID 899947) is 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(C=C3C=c4ccccc4=N3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is ITLKHYNPLUHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12-6-8-15(9-7-12)23-19(25)16(18(24)22-20(23)26)11-14-10-13-4-2-3-5-17(13)21-14/h2-11,25H,1H3,(H,22,24,26).
What are the key properties of 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 345.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 899947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).