3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione

C13H13ClN4O2S — CID 103321973

IUPAC3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCc1cc2c(NC3CC(=O)N(C)C3=O)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4O2S/c1-3-6-4-7-10(16-13(14)17-11(7)21-6)15-8-5-9(19)18(2)12(8)20/h4,8H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyIXLTYOVDYMVXBD-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.08
Rot. Bonds3

About 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 103321973) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID103321973
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCc1cc2c(NC3CC(=O)N(C)C3=O)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4O2S/c1-3-6-4-7-10(16-13(14)17-11(7)21-6)15-8-5-9(19)18(2)12(8)20/h4,8H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyIXLTYOVDYMVXBD-UHFFFAOYSA-N
XLogP2.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.08
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

2-chloro-N-(2,2-dimethylcyclohexyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103322099
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103322667
2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320494
2-chloro-6-ethyl-N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321891
2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321272
2-chloro-6-ethyl-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322212
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-6-ethyl-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320947

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 103321973) is 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione is CCc1cc2c(NC3CC(=O)N(C)C3=O)nc(Cl)nc2s1.
What is the InChIKey of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is IXLTYOVDYMVXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-3-6-4-7-10(16-13(14)17-11(7)21-6)15-8-5-9(19)18(2)12(8)20/h4,8H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 324.79 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 103321973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).