1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione

C15H11N5O2S2 — CID 24899431

IUPAC1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(N)nc3scc(-c4cccs4)c23)C1=O
InChIInChI=1S/C15H11N5O2S2/c1-7-5-10(21)20(14(7)22)19-12-11-8(9-3-2-4-23-9)6-24-13(11)18-15(16)17-12/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyIXQLELLMVCMZLE-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.64
Rot. Bonds3

About 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione

1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione (PubChem CID 24899431) has the molecular formula C15H11N5O2S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione
PubChem CID24899431
Molecular FormulaC15H11N5O2S2
Molecular Weight357.42 g/mol
Exact Mass357.04
IUPAC Name1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(N)nc3scc(-c4cccs4)c23)C1=O
InChIInChI=1S/C15H11N5O2S2/c1-7-5-10(21)20(14(7)22)19-12-11-8(9-3-2-4-23-9)6-24-13(11)18-15(16)17-12/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyIXQLELLMVCMZLE-UHFFFAOYSA-N
XLogP2.64
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione (CID 24899431) is 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2nc(N)nc3scc(-c4cccs4)c23)C1=O.
What is the InChIKey of 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
The InChIKey is IXQLELLMVCMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S2/c1-7-5-10(21)20(14(7)22)19-12-11-8(9-3-2-4-23-9)6-24-13(11)18-15(16)17-12/h2-6H,1H3,(H3,16,17,18,19).
What are the key properties of 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione has a molecular weight of 357.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 24899431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).