2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone

C18H16ClN3O2S — CID 2085156

IUPAC2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)N1CCCC1
InChIInChI=1S/C18H16ClN3O2S/c19-13-5-3-12(4-6-13)14-10-25-18-16(14)17(20-11-21-18)24-9-15(23)22-7-1-2-8-22/h3-6,10-11H,1-2,7-9H2
InChIKeyNUTATRKEUPWOSW-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.01
Rot. Bonds4

About 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone

2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone (PubChem CID 2085156) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
PubChem CID2085156
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)N1CCCC1
InChIInChI=1S/C18H16ClN3O2S/c19-13-5-3-12(4-6-13)14-10-25-18-16(14)17(20-11-21-18)24-9-15(23)22-7-1-2-8-22/h3-6,10-11H,1-2,7-9H2
InChIKeyNUTATRKEUPWOSW-UHFFFAOYSA-N
XLogP4.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 1176298
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 2408869
2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone
CID 8891685
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2081514
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanone
CID 2483989
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2100349
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 2419526
methyl 4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 2334773
N-(2,5-difluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483830
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483706
5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 4969541
5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18204073

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone (CID 2085156) is 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone is O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)N1CCCC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is NUTATRKEUPWOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-13-5-3-12(4-6-13)14-10-25-18-16(14)17(20-11-21-18)24-9-15(23)22-7-1-2-8-22/h3-6,10-11H,1-2,7-9H2.
What are the key properties of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 373.87 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2085156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).