5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

C19H17N3O3S — CID 71778396

About 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 71778396) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
• PubChem CID: 71778396
• Molecular Formula: C19H17N3O3S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.10
• IUPAC Name: 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
• SMILES: CC1Cc2ccccc2N1C(=O)c1c[nH]c(=O)n(Cc2cccs2)c1=O
• InChI: InChI=1S/C19H17N3O3S/c1-12-9-13-5-2-3-7-16(13)22(12)18(24)15-10-20-19(25)21(17(15)23)11-14-6-4-8-26-14/h2-8,10,12H,9,11H2,1H3,(H,20,25)
• InChIKey: LTAQLMPBGYMECS-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 75.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 71778396) is 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is CC1Cc2ccccc2N1C(=O)c1c[nH]c(=O)n(Cc2cccs2)c1=O.

What is the InChIKey of 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

The InChIKey is LTAQLMPBGYMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-9-13-5-2-3-7-16(13)22(12)18(24)15-10-20-19(25)21(17(15)23)11-14-6-4-8-26-14/h2-8,10,12H,9,11H2,1H3,(H,20,25).

What are the key properties of 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71778396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).