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

C15H13N3O3 — CID 951728

IUPAC1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESCCn1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C15H13N3O3/c1-2-18-14(20)11(13(19)17-15(18)21)7-9-8-16-12-6-4-3-5-10(9)12/h3-8,20H,2H2,1H3,(H,17,19,21)
InChIKeyQRZMPFLYNXWTRH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.52
Rot. Bonds2

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

1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (PubChem CID 951728) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
PubChem CID951728
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESCCn1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C15H13N3O3/c1-2-18-14(20)11(13(19)17-15(18)21)7-9-8-16-12-6-4-3-5-10(9)12/h3-8,20H,2H2,1H3,(H,17,19,21)
InChIKeyQRZMPFLYNXWTRH-UHFFFAOYSA-N
XLogP1.52
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 620473
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 882217
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 1322607
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
4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
CID 137035511
1-(4-ethylphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 3941895
1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 137162220
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 1402835
5-[(5-bromoindol-3-ylidene)methyl]-1-[(2-chlorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 1309660

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (CID 951728) is 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is CCn1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The InChIKey is QRZMPFLYNXWTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-18-14(20)11(13(19)17-15(18)21)7-9-8-16-12-6-4-3-5-10(9)12/h3-8,20H,2H2,1H3,(H,17,19,21).
What are the key properties of 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione has a molecular weight of 283.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 951728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).