1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione

C17H14N4O2S2 — CID 118464669

IUPAC1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(C)c(C)c23)C1=O
InChIInChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20)
InChIKeyQMZMEJFJABYIMJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.68
Rot. Bonds3

About 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione

1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione (PubChem CID 118464669) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione
PubChem CID118464669
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(C)c(C)c23)C1=O
InChIInChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20)
InChIKeyQMZMEJFJABYIMJ-UHFFFAOYSA-N
XLogP3.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione (CID 118464669) is 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(C)c(C)c23)C1=O.
What is the InChIKey of 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
The InChIKey is QMZMEJFJABYIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione?
1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione has a molecular weight of 370.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 118464669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).