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

C20H15N3O3 — CID 135614189

IUPAC6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(O)c(/C=C2\C=c3ccccc3=N2)c(=O)[nH]c1=O
InChIInChI=1S/C20H15N3O3/c1-12-6-2-5-9-17(12)23-19(25)15(18(24)22-20(23)26)11-14-10-13-7-3-4-8-16(13)21-14/h2-11,25H,1H3,(H,22,24,26)/b14-11+
InChIKeyBROZVBGQWQRWPF-SDNWHVSQSA-N
MW345.36 g/mol
LogP0.99
Rot. Bonds2

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

6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 135614189) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID135614189
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(O)c(/C=C2\C=c3ccccc3=N2)c(=O)[nH]c1=O
InChIInChI=1S/C20H15N3O3/c1-12-6-2-5-9-17(12)23-19(25)15(18(24)22-20(23)26)11-14-10-13-7-3-4-8-16(13)21-14/h2-11,25H,1H3,(H,22,24,26)/b14-11+
InChIKeyBROZVBGQWQRWPF-SDNWHVSQSA-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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Related Compounds

6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 899947
6-hydroxy-5-(indol-2-ylidenemethyl)-1-(4-nitrophenyl)pyrimidine-2,4-dione
CID 137065643
1-(3-bromophenyl)-6-hydroxy-5-(indol-2-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1325639
6-hydroxy-5-(indol-2-ylidenemethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 1375920
6-hydroxy-1-(2-methylphenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]-2-sulfanylidenepyrimidin-4-one
CID 135440705
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1377896
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 939765
5-(butan-2-yliminomethyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 627302
5-[(4-acetylphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 137070532
1-(5-chloro-2-methylphenyl)-6-hydroxy-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 137229454
1-(5-chloro-2-methylphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 1398199
5-[(Z)-(5-bromo-2-methylindol-3-ylidene)methyl]-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 135490176

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 135614189) is 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione is Cc1ccccc1-n1c(O)c(/C=C2\C=c3ccccc3=N2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is BROZVBGQWQRWPF-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12-6-2-5-9-17(12)23-19(25)15(18(24)22-20(23)26)11-14-10-13-7-3-4-8-16(13)21-14/h2-11,25H,1H3,(H,22,24,26)/b14-11+.
What are the key properties of 6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-indol-2-ylidenemethyl]-1-(2-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-[(E)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135614189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).