4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine

C15H20ClN3OS — CID 61432869

IUPAC4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
SMILESCc1sc2nc(CN3CCOCC3(C)C)nc(Cl)c2c1C
InChIInChI=1S/C15H20ClN3OS/c1-9-10(2)21-14-12(9)13(16)17-11(18-14)7-19-5-6-20-8-15(19,3)4/h5-8H2,1-4H3
InChIKeyJVLZFJIDBGPATG-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.57
Rot. Bonds2

About 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine

4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine (PubChem CID 61432869) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
PubChem CID61432869
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
SMILESCc1sc2nc(CN3CCOCC3(C)C)nc(Cl)c2c1C
InChIInChI=1S/C15H20ClN3OS/c1-9-10(2)21-14-12(9)13(16)17-11(18-14)7-19-5-6-20-8-15(19,3)4/h5-8H2,1-4H3
InChIKeyJVLZFJIDBGPATG-UHFFFAOYSA-N
XLogP3.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine 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-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine (CID 61432869) is 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine is Cc1sc2nc(CN3CCOCC3(C)C)nc(Cl)c2c1C.
What is the InChIKey of 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine?
The InChIKey is JVLZFJIDBGPATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-9-10(2)21-14-12(9)13(16)17-11(18-14)7-19-5-6-20-8-15(19,3)4/h5-8H2,1-4H3.
What are the key properties of 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine?
4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine has a molecular weight of 325.87 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 61432869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).