6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one

C12H15N3OS — CID 852929

IUPAC6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(N3CCCC3)nc2s1
InChIInChI=1S/C12H15N3OS/c1-2-8-7-9-10(16)13-12(14-11(9)17-8)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyBEDUBZHBHWDQDV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.15
Rot. Bonds2

About 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 852929) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID852929
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(N3CCCC3)nc2s1
InChIInChI=1S/C12H15N3OS/c1-2-8-7-9-10(16)13-12(14-11(9)17-8)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyBEDUBZHBHWDQDV-UHFFFAOYSA-N
XLogP2.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-pyrrolidin-1-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 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 852929) is 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(N3CCCC3)nc2s1.
What is the InChIKey of 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BEDUBZHBHWDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-8-7-9-10(16)13-12(14-11(9)17-8)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 249.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 852929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).