3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione

C13H14N4O2S — CID 62195057

IUPAC3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCNc1nc(CN2C(=O)CC(C)C2=O)nc2sccc12
InChIInChI=1S/C13H14N4O2S/c1-7-5-10(18)17(13(7)19)6-9-15-11(14-2)8-3-4-20-12(8)16-9/h3-4,7H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyYMZLPLODPPDFOK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.63
Rot. Bonds3

About 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione

3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 62195057) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID62195057
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCNc1nc(CN2C(=O)CC(C)C2=O)nc2sccc12
InChIInChI=1S/C13H14N4O2S/c1-7-5-10(18)17(13(7)19)6-9-15-11(14-2)8-3-4-20-12(8)16-9/h3-4,7H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyYMZLPLODPPDFOK-UHFFFAOYSA-N
XLogP1.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 62207836
N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114539498
N-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 102886375
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 62245015
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63635807
[5-methyl-4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-2-yl]methanol
CID 81213600
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 102966683
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62209339
1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone
CID 62178045
N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183290
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512790

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione (CID 62195057) is 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione is CNc1nc(CN2C(=O)CC(C)C2=O)nc2sccc12.
What is the InChIKey of 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is YMZLPLODPPDFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7-5-10(18)17(13(7)19)6-9-15-11(14-2)8-3-4-20-12(8)16-9/h3-4,7H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione?
3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 290.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62195057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).