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

C13H9N3O3 — CID 2803120

IUPAC6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(C=C2C=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)
InChIKeyFHZSIVDOUKDCAG-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.03
Rot. Bonds1

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

6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione (PubChem CID 2803120) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione
PubChem CID2803120
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(C=C2C=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)
InChIKeyFHZSIVDOUKDCAG-UHFFFAOYSA-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

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Related Compounds

1-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CID 135411750
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-(Anilinomethylene)barbituric acid
CID 2250488
5-[(mesitylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2193744
5-{[(1-Phenylethyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2841600
(5E)-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3-fluorophenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 4872193
(5Z)-5-[(2E)-3-(phenylamino)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135450529
1,3-Diethyl-5-(1H-indol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione
CID 135457340
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(2-phenylphenyl)pyrimidine-2,4-dione
CID 136152923
1,3-dimethyl-5-{[(3-methylphenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1375946

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione (CID 2803120) is 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FHZSIVDOUKDCAG-UHFFFAOYSA-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).
What are the key properties of 6-hydroxy-5-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(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-(indol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2803120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).