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

C14H11N3O3 — CID 762363

IUPAC6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C14H11N3O3/c1-17-13(19)10(12(18)16-14(17)20)6-8-7-15-11-5-3-2-4-9(8)11/h2-7,19H,1H3,(H,16,18,20)
InChIKeyJWAOGVFIPKFLNL-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.04
Rot. Bonds1

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

6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 762363) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
PubChem CID762363
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C14H11N3O3/c1-17-13(19)10(12(18)16-14(17)20)6-8-7-15-11-5-3-2-4-9(8)11/h2-7,19H,1H3,(H,16,18,20)
InChIKeyJWAOGVFIPKFLNL-UHFFFAOYSA-N
XLogP1.04
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 620473
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 1360329
6-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 135630159
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 1402835
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 1322607
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 136649363
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135420650
1-(2-fluorophenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1134749
4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
CID 137035511
3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 135927408

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione (CID 762363) is 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione is Cn1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is JWAOGVFIPKFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-17-13(19)10(12(18)16-14(17)20)6-8-7-15-11-5-3-2-4-9(8)11/h2-7,19H,1H3,(H,16,18,20).
What are the key properties of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione?
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 762363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).