6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one

C11H14N2OS — CID 733687

IUPAC6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2sc(CC)cc2c1=O
InChIInChI=1S/C11H14N2OS/c1-3-5-13-7-12-10-9(11(13)14)6-8(4-2)15-10/h6-7H,3-5H2,1-2H3
InChIKeyBHUSXYKIYMTFCT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.43
Rot. Bonds3

About 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one

6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 733687) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID733687
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2sc(CC)cc2c1=O
InChIInChI=1S/C11H14N2OS/c1-3-5-13-7-12-10-9(11(13)14)6-8(4-2)15-10/h6-7H,3-5H2,1-2H3
InChIKeyBHUSXYKIYMTFCT-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one (CID 733687) is 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1cnc2sc(CC)cc2c1=O.
What is the InChIKey of 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BHUSXYKIYMTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-5-13-7-12-10-9(11(13)14)6-8(4-2)15-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 222.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 733687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).