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

C19H20N4O2S — CID 133491152

IUPAC3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2nc(C)nc3scc(C)c23)C1=O
InChIInChI=1S/C19H20N4O2S/c1-11-10-26-18-16(11)17(20-12(2)21-18)22-13-8-9-23(19(13)24)14-6-4-5-7-15(14)25-3/h4-7,10,13H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyHDFFQQUYICQQCP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.53
Rot. Bonds4

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

3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 133491152) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID133491152
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2nc(C)nc3scc(C)c23)C1=O
InChIInChI=1S/C19H20N4O2S/c1-11-10-26-18-16(11)17(20-12(2)21-18)22-13-8-9-23(19(13)24)14-6-4-5-7-15(14)25-3/h4-7,10,13H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyHDFFQQUYICQQCP-UHFFFAOYSA-N
XLogP3.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 126791576
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one
CID 167992076
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
CID 133491151
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 99809079
2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133490971
2-[2-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]ethyl]phthalazin-1-one
CID 167781051

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 133491152) is 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CCC(Nc2nc(C)nc3scc(C)c23)C1=O.
What is the InChIKey of 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is HDFFQQUYICQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-10-26-18-16(11)17(20-12(2)21-18)22-13-8-9-23(19(13)24)14-6-4-5-7-15(14)25-3/h4-7,10,13H,8-9H2,1-3H3,(H,20,21,22).
What are the key properties of 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 368.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 133491152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).