1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione

C16H13N3O3 — CID 879865

IUPAC1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=C1C=CC=N1
InChIInChI=1S/C16H13N3O3/c20-14-13(9-12-7-4-8-17-12)15(21)19(16(22)18-14)10-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,18,20,22)
InChIKeyYJZYLBKLHJPAFL-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.27
Rot. Bonds3

About 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione

1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione (PubChem CID 879865) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
PubChem CID879865
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=C1C=CC=N1
InChIInChI=1S/C16H13N3O3/c20-14-13(9-12-7-4-8-17-12)15(21)19(16(22)18-14)10-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,18,20,22)
InChIKeyYJZYLBKLHJPAFL-UHFFFAOYSA-N
XLogP1.27
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-hexyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 137035009
1-(4-chlorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 873272
6-hydroxy-1-phenyl-5-(pyrrol-2-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 760742
1-ethyl-6-hydroxy-5-[(E)-pyrrol-2-ylidenemethyl]-2-sulfanylidenepyrimidin-4-one
CID 135446797
6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135481568
6-hydroxy-1-(4-methylphenyl)-5-[(E)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135469953
1-(5-chloro-2-methylphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 1398199
1-(5-chloro-2-methylphenyl)-6-hydroxy-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 137229454
6-hydroxy-1-(2-methylphenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]-2-sulfanylidenepyrimidin-4-one
CID 135440705
1-benzyl-5-(butan-2-yliminomethyl)-6-hydroxypyrimidine-2,4-dione
CID 2840187
6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135651540
1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 799917

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione (CID 879865) is 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=C1C=CC=N1.
What is the InChIKey of 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The InChIKey is YJZYLBKLHJPAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14-13(9-12-7-4-8-17-12)15(21)19(16(22)18-14)10-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,18,20,22).
What are the key properties of 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione has a molecular weight of 295.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 879865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).