6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione

C15H10IN3O3 — CID 135481568

IUPAC6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(I)cc2)c(O)c1/C=C1/C=CC=N1
InChIInChI=1S/C15H10IN3O3/c16-9-3-5-11(6-4-9)19-14(21)12(13(20)18-15(19)22)8-10-2-1-7-17-10/h1-8,21H,(H,18,20,22)/b10-8-
InChIKeyFERXHXBAKHVDCL-NTMALXAHSA-N
MW407.17 g/mol
LogP1.82
Rot. Bonds2

About 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione

6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135481568) has the molecular formula C15H10IN3O3 and a molecular weight of 407.17 g/mol. Its IUPAC name is 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135481568
Molecular FormulaC15H10IN3O3
Molecular Weight407.17 g/mol
Exact Mass406.98
IUPAC Name6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(I)cc2)c(O)c1/C=C1/C=CC=N1
InChIInChI=1S/C15H10IN3O3/c16-9-3-5-11(6-4-9)19-14(21)12(13(20)18-15(19)22)8-10-2-1-7-17-10/h1-8,21H,(H,18,20,22)/b10-8-
InChIKeyFERXHXBAKHVDCL-NTMALXAHSA-N
XLogP1.82
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1-(4-methylphenyl)-5-[(E)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione
CID 135469953
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-(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
1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 799917
1-benzyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 879865
1-(3,5-dimethylphenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1390650
1-hexyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 137035009
6-hydroxy-5-[(E)-pyrrol-2-ylidenemethyl]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 135420775
6-hydroxy-1-(2-methylphenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]-2-sulfanylidenepyrimidin-4-one
CID 135440705
1-ethyl-6-hydroxy-5-[(E)-pyrrol-2-ylidenemethyl]-2-sulfanylidenepyrimidin-4-one
CID 135446797

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione (CID 135481568) is 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(I)cc2)c(O)c1/C=C1/C=CC=N1.
What is the InChIKey of 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is FERXHXBAKHVDCL-NTMALXAHSA-N. The full InChI is InChI=1S/C15H10IN3O3/c16-9-3-5-11(6-4-9)19-14(21)12(13(20)18-15(19)22)8-10-2-1-7-17-10/h1-8,21H,(H,18,20,22)/b10-8-.
What are the key properties of 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 407.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-iodophenyl)-5-[(Z)-pyrrol-2-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135481568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).