propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate

C15H20N2O3S — CID 4151061

IUPACpropan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
SMILESCCc1cc2c(=O)n(C(CC)C(=O)OC(C)C)cnc2s1
InChIInChI=1S/C15H20N2O3S/c1-5-10-7-11-13(21-10)16-8-17(14(11)18)12(6-2)15(19)20-9(3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyYRROJEVAMQYBDT-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.92
Rot. Bonds5

About propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate

propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate (PubChem CID 4151061) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
PubChem CID4151061
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Namepropan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate
SMILESCCc1cc2c(=O)n(C(CC)C(=O)OC(C)C)cnc2s1
InChIInChI=1S/C15H20N2O3S/c1-5-10-7-11-13(21-10)16-8-17(14(11)18)12(6-2)15(19)20-9(3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyYRROJEVAMQYBDT-UHFFFAOYSA-N
XLogP2.92
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate?
The IUPAC name of propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate (CID 4151061) is propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate.
What is the SMILES notation for propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate?
The canonical SMILES for propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate is CCc1cc2c(=O)n(C(CC)C(=O)OC(C)C)cnc2s1.
What is the InChIKey of propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate?
The InChIKey is YRROJEVAMQYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-10-7-11-13(21-10)16-8-17(14(11)18)12(6-2)15(19)20-9(3)4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate?
propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate has a molecular weight of 308.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate is sourced from PubChem (CID 4151061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).