5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

C14H14N2OS2 — CID 47297455

IUPAC5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Cc1csc2nc(-c3ccsc3)[nH]c(=O)c12
InChIInChI=1S/C14H14N2OS2/c1-8(2)5-10-7-19-14-11(10)13(17)15-12(16-14)9-3-4-18-6-9/h3-4,6-8H,5H2,1-2H3,(H,15,16,17)
InChIKeyMDNYTUFFLCMTTD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.91
Rot. Bonds3

About 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47297455) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47297455
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Cc1csc2nc(-c3ccsc3)[nH]c(=O)c12
InChIInChI=1S/C14H14N2OS2/c1-8(2)5-10-7-19-14-11(10)13(17)15-12(16-14)9-3-4-18-6-9/h3-4,6-8H,5H2,1-2H3,(H,15,16,17)
InChIKeyMDNYTUFFLCMTTD-UHFFFAOYSA-N
XLogP3.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one 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 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47297455) is 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is CC(C)Cc1csc2nc(-c3ccsc3)[nH]c(=O)c12.
What is the InChIKey of 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MDNYTUFFLCMTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-8(2)5-10-7-19-14-11(10)13(17)15-12(16-14)9-3-4-18-6-9/h3-4,6-8H,5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47297455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).