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

C23H21N3O5 — CID 137162220

IUPAC1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESCCOc1ccc(OCC)c(-n2c(O)c(C=C3C=Nc4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H21N3O5/c1-3-30-15-9-10-20(31-4-2)19(12-15)26-22(28)17(21(27)25-23(26)29)11-14-13-24-18-8-6-5-7-16(14)18/h5-13,28H,3-4H2,1-2H3,(H,25,27,29)
InChIKeyMNPIPZOFHHBVGD-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.29
Rot. Bonds6

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

1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (PubChem CID 137162220) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
PubChem CID137162220
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESCCOc1ccc(OCC)c(-n2c(O)c(C=C3C=Nc4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H21N3O5/c1-3-30-15-9-10-20(31-4-2)19(12-15)26-22(28)17(21(27)25-23(26)29)11-14-13-24-18-8-6-5-7-16(14)18/h5-13,28H,3-4H2,1-2H3,(H,25,27,29)
InChIKeyMNPIPZOFHHBVGD-UHFFFAOYSA-N
XLogP3.29
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 135630159
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 135469755
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135706692
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 620473
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
6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 1360329
1-(4-ethylphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 3941895
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135420650

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (CID 137162220) is 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is CCOc1ccc(OCC)c(-n2c(O)c(C=C3C=Nc4ccccc43)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The InChIKey is MNPIPZOFHHBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-3-30-15-9-10-20(31-4-2)19(12-15)26-22(28)17(21(27)25-23(26)29)11-14-13-24-18-8-6-5-7-16(14)18/h5-13,28H,3-4H2,1-2H3,(H,25,27,29).
What are the key properties of 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione has a molecular weight of 419.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137162220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).