4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine

C18H20FN5OS — CID 155980671

IUPAC4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3ncnc4sccc34)CC2)c1F
InChIInChI=1S/C18H20FN5OS/c1-2-14-15(19)17(22-10-20-14)25-9-12-3-6-24(7-4-12)16-13-5-8-26-18(13)23-11-21-16/h5,8,10-12H,2-4,6-7,9H2,1H3
InChIKeyJRRCPDDHEMRRIJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.48
Rot. Bonds5

About 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine

4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 155980671) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID155980671
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC Name4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3ncnc4sccc34)CC2)c1F
InChIInChI=1S/C18H20FN5OS/c1-2-14-15(19)17(22-10-20-14)25-9-12-3-6-24(7-4-12)16-13-5-8-26-18(13)23-11-21-16/h5,8,10-12H,2-4,6-7,9H2,1H3
InChIKeyJRRCPDDHEMRRIJ-UHFFFAOYSA-N
XLogP3.48
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine 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-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 155980671) is 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is CCc1ncnc(OCC2CCN(c3ncnc4sccc34)CC2)c1F.
What is the InChIKey of 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is JRRCPDDHEMRRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-2-14-15(19)17(22-10-20-14)25-9-12-3-6-24(7-4-12)16-13-5-8-26-18(13)23-11-21-16/h5,8,10-12H,2-4,6-7,9H2,1H3.
What are the key properties of 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 155980671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).