1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

C19H12BrN3O3 — CID 135421167

IUPAC1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Br)c2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C19H12BrN3O3/c20-12-4-3-5-13(9-12)23-18(25)15(17(24)22-19(23)26)8-11-10-21-16-7-2-1-6-14(11)16/h1-10,25H,(H,22,24,26)/b11-8+
InChIKeyFTFHEUPQBHVJCX-DHZHZOJOSA-N
MW410.23 g/mol
LogP3.25
Rot. Bonds2

About 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135421167) has the molecular formula C19H12BrN3O3 and a molecular weight of 410.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135421167
Molecular FormulaC19H12BrN3O3
Molecular Weight410.23 g/mol
Exact Mass409.01
IUPAC Name1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Br)c2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C19H12BrN3O3/c20-12-4-3-5-13(9-12)23-18(25)15(17(24)22-19(23)26)8-11-10-21-16-7-2-1-6-14(11)16/h1-10,25H,(H,22,24,26)/b11-8+
InChIKeyFTFHEUPQBHVJCX-DHZHZOJOSA-N
XLogP3.25
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (CID 135421167) is 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(Br)c2)c(O)c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is FTFHEUPQBHVJCX-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H12BrN3O3/c20-12-4-3-5-13(9-12)23-18(25)15(17(24)22-19(23)26)8-11-10-21-16-7-2-1-6-14(11)16/h1-10,25H,(H,22,24,26)/b11-8+.
What are the key properties of 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 410.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135421167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).