5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione

C15H12BrN3O3 — CID 135490119

IUPAC5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCn1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)c(=O)[nH]c1=O
InChIInChI=1S/C15H12BrN3O3/c1-2-19-14(21)11(13(20)18-15(19)22)5-8-7-17-12-4-3-9(16)6-10(8)12/h3-7,21H,2H2,1H3,(H,18,20,22)/b8-5+
InChIKeyRDLLOPFOGDBLMQ-VMPITWQZSA-N
MW362.18 g/mol
LogP2.28
Rot. Bonds2

About 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 135490119) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID135490119
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCn1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)c(=O)[nH]c1=O
InChIInChI=1S/C15H12BrN3O3/c1-2-19-14(21)11(13(20)18-15(19)22)5-8-7-17-12-4-3-9(16)6-10(8)12/h3-7,21H,2H2,1H3,(H,18,20,22)/b8-5+
InChIKeyRDLLOPFOGDBLMQ-VMPITWQZSA-N
XLogP2.28
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-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

5-{[(4-bromophenyl)amino]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 2369567
5-[(5-bromo-1H-indol-3-yl)methylene]-2,4-imidazolidinedione
CID 135432788
(5Z)-1-butyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135421582
5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 135451191
1-methyl-5-[(2-methyl-1H-indol-3-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135656248
(5E)-1-benzyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135452102
5-(3-Indolylmethylene)barbituric acid
CID 135400591
5-[(5-Bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1399226
5-[(1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2803120
(5Z)-5-(1H-indol-3-ylmethylidene)-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135440820
5-[(5-Bromoindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1987522
5-{[(4-Bromophenyl)amino]methylene}-1,3-dihydropyrimidine-2,4,6-trione
CID 4075919

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione (CID 135490119) is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione is CCn1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RDLLOPFOGDBLMQ-VMPITWQZSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-2-19-14(21)11(13(20)18-15(19)22)5-8-7-17-12-4-3-9(16)6-10(8)12/h3-7,21H,2H2,1H3,(H,18,20,22)/b8-5+.
What are the key properties of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione?
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 362.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135490119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).