2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C16H16FN3O2S — CID 135550324

IUPAC2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(CCOc1ccccc1F)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C16H16FN3O2S/c1-20(7-8-22-13-5-3-2-4-11(13)17)10-14-18-12-6-9-23-15(12)16(21)19-14/h2-6,9H,7-8,10H2,1H3,(H,18,19,21)
InChIKeyOWRFBILBKSTGRI-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.63
Rot. Bonds6

About 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135550324) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135550324
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(CCOc1ccccc1F)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C16H16FN3O2S/c1-20(7-8-22-13-5-3-2-4-11(13)17)10-14-18-12-6-9-23-15(12)16(21)19-14/h2-6,9H,7-8,10H2,1H3,(H,18,19,21)
InChIKeyOWRFBILBKSTGRI-UHFFFAOYSA-N
XLogP2.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-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 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135550324) is 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CN(CCOc1ccccc1F)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OWRFBILBKSTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-20(7-8-22-13-5-3-2-4-11(13)17)10-14-18-12-6-9-23-15(12)16(21)19-14/h2-6,9H,7-8,10H2,1H3,(H,18,19,21).
What are the key properties of 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135550324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).