2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide

C16H14FN3O2S — CID 2088075

IUPAC2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H14FN3O2S/c1-20(2)13(21)7-22-15-14-12(8-23-16(14)19-9-18-15)10-3-5-11(17)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyNFVFRNZGCBSVTM-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.96
Rot. Bonds4

About 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide (PubChem CID 2088075) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide
PubChem CID2088075
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H14FN3O2S/c1-20(2)13(21)7-22-15-14-12(8-23-16(14)19-9-18-15)10-3-5-11(17)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyNFVFRNZGCBSVTM-UHFFFAOYSA-N
XLogP2.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2117377
MRGPRX1 agonist 2
CID 719971
MRGPRX1 agonist 3
CID 9212907
6-Tert-butyl-4-(2-fluorophenoxy)-5-phenylthieno[2,3-d]pyrimidine
CID 163391841
6-Tert-butyl-4-(2-fluorophenoxy)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 163391875
4-Methoxy-6-phenylthieno[2,3-d]pyrimidine
CID 1039883
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethanone
CID 2086366
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2100259
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2161555
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2553837
p-Tolyloxy-acetic acid N'-[2-(5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetyl]-hydrazide
CID 3167528
p-Tolyloxy-acetic acid N'-[2-(5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-propionyl]-hydrazide
CID 3167532

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide (CID 2088075) is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide?
The InChIKey is NFVFRNZGCBSVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-20(2)13(21)7-22-15-14-12(8-23-16(14)19-9-18-15)10-3-5-11(17)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide?
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide has a molecular weight of 331.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 2088075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).