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

C13H9N3O3 — CID 135400591

IUPAC6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C13H9N3O3/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6H,(H3,15,16,17,18,19)/b7-5+
InChIKeyFHZSIVDOUKDCAG-FNORWQNLSA-N
MW255.23 g/mol
LogP1.03
Rot. Bonds1

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

6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione (PubChem CID 135400591) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione
PubChem CID135400591
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C13H9N3O3/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6H,(H3,15,16,17,18,19)/b7-5+
InChIKeyFHZSIVDOUKDCAG-FNORWQNLSA-N
XLogP1.03
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione (CID 135400591) is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FHZSIVDOUKDCAG-FNORWQNLSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6H,(H3,15,16,17,18,19)/b7-5+.
What are the key properties of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 255.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135400591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).