1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C20H21N5OS — CID 154870328

IUPAC1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(N2CC(CCN3CCCC3=O)c3ccccc32)nc2sccc12
InChIInChI=1S/C20H21N5OS/c21-18-15-8-11-27-19(15)23-20(22-18)25-12-13(14-4-1-2-5-16(14)25)7-10-24-9-3-6-17(24)26/h1-2,4-5,8,11,13H,3,6-7,9-10,12H2,(H2,21,22,23)
InChIKeyBVOOTGHHDMJQCQ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.52
Rot. Bonds4

About 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 154870328) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID154870328
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(N2CC(CCN3CCCC3=O)c3ccccc32)nc2sccc12
InChIInChI=1S/C20H21N5OS/c21-18-15-8-11-27-19(15)23-20(22-18)25-12-13(14-4-1-2-5-16(14)25)7-10-24-9-3-6-17(24)26/h1-2,4-5,8,11,13H,3,6-7,9-10,12H2,(H2,21,22,23)
InChIKeyBVOOTGHHDMJQCQ-UHFFFAOYSA-N
XLogP3.52
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}thieno[2,3-d]pyrimidin-4-amine
CID 53467177
1-(2-Methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 2464730
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 46231850
CID 134229971
CID 134229971
1-[(4-Amino-1-ethyl-7-thiophen-2-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one
CID 137515383
2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 1576122
2-(4-Amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-o-tolyl-acetamide
CID 1970419
1-[5,6-Dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 2548194
2-(2-Isopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3192294
2-(2-Cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3193125
2-(2-Ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3197516
2-[(5,6-Dimethyl-2-propyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3197538

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 154870328) is 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is Nc1nc(N2CC(CCN3CCCC3=O)c3ccccc32)nc2sccc12.
What is the InChIKey of 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is BVOOTGHHDMJQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c21-18-15-8-11-27-19(15)23-20(22-18)25-12-13(14-4-1-2-5-16(14)25)7-10-24-9-3-6-17(24)26/h1-2,4-5,8,11,13H,3,6-7,9-10,12H2,(H2,21,22,23).
What are the key properties of 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 379.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-aminothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 154870328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).