4-thieno[2,3-d]pyrimidin-4-ylmorpholine

C10H11N3OS — CID 2457329

IUPAC4-thieno[2,3-d]pyrimidin-4-ylmorpholine
SMILESc1nc(N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C10H11N3OS/c1-6-15-10-8(1)9(11-7-12-10)13-2-4-14-5-3-13/h1,6-7H,2-5H2
InChIKeyPILLECMIRQLTLT-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.53
Rot. Bonds1

About 4-thieno[2,3-d]pyrimidin-4-ylmorpholine

4-thieno[2,3-d]pyrimidin-4-ylmorpholine (PubChem CID 2457329) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-thieno[2,3-d]pyrimidin-4-ylmorpholine.

Molecular Properties

Compound Name4-thieno[2,3-d]pyrimidin-4-ylmorpholine
PubChem CID2457329
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name4-thieno[2,3-d]pyrimidin-4-ylmorpholine
SMILESc1nc(N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C10H11N3OS/c1-6-15-10-8(1)9(11-7-12-10)13-2-4-14-5-3-13/h1,6-7H,2-5H2
InChIKeyPILLECMIRQLTLT-UHFFFAOYSA-N
XLogP1.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-thieno[2,3-d]pyrimidin-4-ylmorpholine 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 4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The IUPAC name of 4-thieno[2,3-d]pyrimidin-4-ylmorpholine (CID 2457329) is 4-thieno[2,3-d]pyrimidin-4-ylmorpholine.
What is the SMILES notation for 4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The canonical SMILES for 4-thieno[2,3-d]pyrimidin-4-ylmorpholine is c1nc(N2CCOCC2)c2ccsc2n1.
What is the InChIKey of 4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The InChIKey is PILLECMIRQLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-15-10-8(1)9(11-7-12-10)13-2-4-14-5-3-13/h1,6-7H,2-5H2.
What are the key properties of 4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
4-thieno[2,3-d]pyrimidin-4-ylmorpholine has a molecular weight of 221.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[2,3-d]pyrimidin-4-ylmorpholine is sourced from PubChem (CID 2457329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).