3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione

C15H10N4O2S2 — CID 69404099

IUPAC3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
SMILESCC1=C(Nc2ncnc3scc(-c4cccs4)c23)C(=O)NC1=O
InChIInChI=1S/C15H10N4O2S2/c1-7-11(14(21)19-13(7)20)18-12-10-8(9-3-2-4-22-9)5-23-15(10)17-6-16-12/h2-6H,1H3,(H2,16,17,18,19,20,21)
InChIKeyTYCQDFPZRFOFAU-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.76
Rot. Bonds3

About 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione

3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione (PubChem CID 69404099) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
PubChem CID69404099
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC Name3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
SMILESCC1=C(Nc2ncnc3scc(-c4cccs4)c23)C(=O)NC1=O
InChIInChI=1S/C15H10N4O2S2/c1-7-11(14(21)19-13(7)20)18-12-10-8(9-3-2-4-22-9)5-23-15(10)17-6-16-12/h2-6H,1H3,(H2,16,17,18,19,20,21)
InChIKeyTYCQDFPZRFOFAU-UHFFFAOYSA-N
XLogP2.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione with MolForge

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Related Compounds

3-methyl-4-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 69405034
3-methyl-4-[(5-thiophen-2-yl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 69403733
3-[[2-(4-methoxyphenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69402903
3-[[2-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69405482
N-hexadecyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 4554048
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623816
4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 59774494
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774
3-methyl-1-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 24899427
3-[[6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-ethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69403047
5-(3,4-dimethylphenyl)-N-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635988
3-[[6-[4-[2-(benzylamino)ethoxy]phenyl]-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69404535

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione (CID 69404099) is 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione is CC1=C(Nc2ncnc3scc(-c4cccs4)c23)C(=O)NC1=O.
What is the InChIKey of 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
The InChIKey is TYCQDFPZRFOFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c1-7-11(14(21)19-13(7)20)18-12-10-8(9-3-2-4-22-9)5-23-15(10)17-6-16-12/h2-6H,1H3,(H2,16,17,18,19,20,21).
What are the key properties of 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione has a molecular weight of 342.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 69404099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).