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

C21H17N3O3 — CID 135478291

IUPAC1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione
SMILESCCc1ccc(-n2c(O)c(/C=C3/C=c4ccccc4=N3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H17N3O3/c1-2-13-7-9-16(10-8-13)24-20(26)17(19(25)23-21(24)27)12-15-11-14-5-3-4-6-18(14)22-15/h3-12,26H,2H2,1H3,(H,23,25,27)/b15-12-
InChIKeyCPSVXOZHCSEYKD-QINSGFPZSA-N
MW359.39 g/mol
LogP1.25
Rot. Bonds3

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

1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135478291) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135478291
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione
SMILESCCc1ccc(-n2c(O)c(/C=C3/C=c4ccccc4=N3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H17N3O3/c1-2-13-7-9-16(10-8-13)24-20(26)17(19(25)23-21(24)27)12-15-11-14-5-3-4-6-18(14)22-15/h3-12,26H,2H2,1H3,(H,23,25,27)/b15-12-
InChIKeyCPSVXOZHCSEYKD-QINSGFPZSA-N
XLogP1.25
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione (CID 135478291) is 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione is CCc1ccc(-n2c(O)c(/C=C3/C=c4ccccc4=N3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is CPSVXOZHCSEYKD-QINSGFPZSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-13-7-9-16(10-8-13)24-20(26)17(19(25)23-21(24)27)12-15-11-14-5-3-4-6-18(14)22-15/h3-12,26H,2H2,1H3,(H,23,25,27)/b15-12-.
What are the key properties of 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione?
1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 359.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135478291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).