5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine

C21H17FN2O2S — CID 11668030

IUPAC5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(OCCCOc4ccccc4)c23)cc1
InChIInChI=1S/C21H17FN2O2S/c22-16-9-7-15(8-10-16)18-13-27-21-19(18)20(23-14-24-21)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12H2
InChIKeySXGFENWNHKBEKR-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.35
Rot. Bonds7

About 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine

5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine (PubChem CID 11668030) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine
PubChem CID11668030
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(OCCCOc4ccccc4)c23)cc1
InChIInChI=1S/C21H17FN2O2S/c22-16-9-7-15(8-10-16)18-13-27-21-19(18)20(23-14-24-21)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12H2
InChIKeySXGFENWNHKBEKR-UHFFFAOYSA-N
XLogP5.35
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine
CID 11538792
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
CID 68534883
1-[4-[3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxypropoxy]phenyl]pentan-2-one
CID 59145660
methyl 5-[3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxypropoxy]pyridine-3-carboxylate
CID 11503064
5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 3760290
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
5-(4-methylphenyl)-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2415818
5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 4969541
N-(2,5-difluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483830
N-butan-2-yl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 4005509
5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 1228156
4-(1,3-benzodioxol-5-yloxy)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 8894236

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine (CID 11668030) is 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine is Fc1ccc(-c2csc3ncnc(OCCCOc4ccccc4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine?
The InChIKey is SXGFENWNHKBEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-16-9-7-15(8-10-16)18-13-27-21-19(18)20(23-14-24-21)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12H2.
What are the key properties of 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine has a molecular weight of 380.44 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 11668030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).