4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one

C21H24N4OS — CID 133485924

IUPAC4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1nc(NCC2CC(=O)N(CCc3ccccc3)C2)c2c(C)csc2n1
InChIInChI=1S/C21H24N4OS/c1-14-13-27-21-19(14)20(23-15(2)24-21)22-11-17-10-18(26)25(12-17)9-8-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,22,23,24)
InChIKeyDIRTZDGSXLGCIN-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.81
Rot. Bonds6

About 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one

4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 133485924) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID133485924
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1nc(NCC2CC(=O)N(CCc3ccccc3)C2)c2c(C)csc2n1
InChIInChI=1S/C21H24N4OS/c1-14-13-27-21-19(14)20(23-15(2)24-21)22-11-17-10-18(26)25(12-17)9-8-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,22,23,24)
InChIKeyDIRTZDGSXLGCIN-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one with MolForge

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Related Compounds

3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 99858269
(4S,5R)-4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129003141
1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
CID 133348967
5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 110640237
3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 110640246
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97082046
N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
CID 110640225
2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 96540819
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
2,5-dimethyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 154788088

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 133485924) is 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one is Cc1nc(NCC2CC(=O)N(CCc3ccccc3)C2)c2c(C)csc2n1.
What is the InChIKey of 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is DIRTZDGSXLGCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14-13-27-21-19(14)20(23-15(2)24-21)22-11-17-10-18(26)25(12-17)9-8-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 380.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 133485924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).