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

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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).