3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione

C20H21N3O3S — CID 46923245

IUPAC3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O
InChIInChI=1S/C20H21N3O3S/c1-2-3-10-22-19(25)18-16(9-12-27-18)23(20(22)26)13-17(24)21-11-8-14-6-4-5-7-15(14)21/h4-7,9,12H,2-3,8,10-11,13H2,1H3
InChIKeyKUJXRHDECZPRPR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.61
Rot. Bonds5

About 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione

3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 46923245) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID46923245
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O
InChIInChI=1S/C20H21N3O3S/c1-2-3-10-22-19(25)18-16(9-12-27-18)23(20(22)26)13-17(24)21-11-8-14-6-4-5-7-15(14)21/h4-7,9,12H,2-3,8,10-11,13H2,1H3
InChIKeyKUJXRHDECZPRPR-UHFFFAOYSA-N
XLogP2.61
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 46923245) is 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione is CCCCn1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O.
What is the InChIKey of 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is KUJXRHDECZPRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-3-10-22-19(25)18-16(9-12-27-18)23(20(22)26)13-17(24)21-11-8-14-6-4-5-7-15(14)21/h4-7,9,12H,2-3,8,10-11,13H2,1H3.
What are the key properties of 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 383.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46923245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).