ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate

C15H19N3O2S — CID 2809614

IUPACethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-3-20-15(19)11-4-6-18(7-5-11)14-13-12(16-9-17-14)10(2)8-21-13/h8-9,11H,3-7H2,1-2H3
InChIKeyIYJGGWMJIDYZNP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds3

About ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate

ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 2809614) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID2809614
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nameethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-3-20-15(19)11-4-6-18(7-5-11)14-13-12(16-9-17-14)10(2)8-21-13/h8-9,11H,3-7H2,1-2H3
InChIKeyIYJGGWMJIDYZNP-UHFFFAOYSA-N
XLogP2.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate 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 ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate (CID 2809614) is ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc3c(C)csc23)CC1.
What is the InChIKey of ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is IYJGGWMJIDYZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-15(19)11-4-6-18(7-5-11)14-13-12(16-9-17-14)10(2)8-21-13/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 2809614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).