4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C18H17N3O3S — CID 2912676

IUPAC4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1ccc2c(c1)OCC(c1csc3ncnc(N4CCOCC4)c13)O2
InChIInChI=1S/C18H17N3O3S/c1-2-4-14-13(3-1)23-9-15(24-14)12-10-25-18-16(12)17(19-11-20-18)21-5-7-22-8-6-21/h1-4,10-11,15H,5-9H2
InChIKeyBCXSGRZAYWGGCS-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.04
Rot. Bonds2

About 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 2912676) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID2912676
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1ccc2c(c1)OCC(c1csc3ncnc(N4CCOCC4)c13)O2
InChIInChI=1S/C18H17N3O3S/c1-2-4-14-13(3-1)23-9-15(24-14)12-10-25-18-16(12)17(19-11-20-18)21-5-7-22-8-6-21/h1-4,10-11,15H,5-9H2
InChIKeyBCXSGRZAYWGGCS-UHFFFAOYSA-N
XLogP3.04
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 1999904
N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457290
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
5-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-4-piperidin-1-yl-thieno[2,3-d]pyrimidine
CID 2958647
1-(4-Methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 2796082
AG-F-87638
CID 5253159
1-Phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 24885648
1-(4-Fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 24886595
4-(2-Hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
CID 24936489
4-Chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine
CID 3913718
4-{4-[2-(4-Chlorophenoxy)ethyl]-1-piperazinyl}-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1299127
2-[4-[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 2082614

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 2912676) is 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine is c1ccc2c(c1)OCC(c1csc3ncnc(N4CCOCC4)c13)O2.
What is the InChIKey of 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is BCXSGRZAYWGGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-4-14-13(3-1)23-9-15(24-14)12-10-25-18-16(12)17(19-11-20-18)21-5-7-22-8-6-21/h1-4,10-11,15H,5-9H2.
What are the key properties of 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 355.42 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 2912676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).