6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione

C24H22N4O3 — CID 90716219

IUPAC6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCc2c[nH]c3ccccc23)c(=O)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O3/c29-22-13-23(30)28(12-10-17-15-26-21-8-4-2-6-19(17)21)24(31)27(22)11-9-16-14-25-20-7-3-1-5-18(16)20/h1-8,13-15,25-26,29H,9-12H2
InChIKeyNCKGVXVRSTZUQP-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.16
Rot. Bonds6

About 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione

6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 90716219) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
PubChem CID90716219
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCc2c[nH]c3ccccc23)c(=O)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O3/c29-22-13-23(30)28(12-10-17-15-26-21-8-4-2-6-19(17)21)24(31)27(22)11-9-16-14-25-20-7-3-1-5-18(16)20/h1-8,13-15,25-26,29H,9-12H2
InChIKeyNCKGVXVRSTZUQP-UHFFFAOYSA-N
XLogP3.16
TPSA95.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
diethyl 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 1288214
2-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42582267
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione (CID 90716219) is 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione is O=c1cc(O)n(CCc2c[nH]c3ccccc23)c(=O)n1CCc1c[nH]c2ccccc12.
What is the InChIKey of 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is NCKGVXVRSTZUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-22-13-23(30)28(12-10-17-15-26-21-8-4-2-6-19(17)21)24(31)27(22)11-9-16-14-25-20-7-3-1-5-18(16)20/h1-8,13-15,25-26,29H,9-12H2.
What are the key properties of 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 414.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 90716219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).