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

C22H19FN2O3S — CID 11538792

IUPAC5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine
SMILESCOc1cccc(OCCCOc2ncnc3scc(-c4ccc(F)cc4)c23)c1
InChIInChI=1S/C22H19FN2O3S/c1-26-17-4-2-5-18(12-17)27-10-3-11-28-21-20-19(13-29-22(20)25-14-24-21)15-6-8-16(23)9-7-15/h2,4-9,12-14H,3,10-11H2,1H3
InChIKeySFJYZAMUKNWMQY-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.35
Rot. Bonds8

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

5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine (PubChem CID 11538792) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine
PubChem CID11538792
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine
SMILESCOc1cccc(OCCCOc2ncnc3scc(-c4ccc(F)cc4)c23)c1
InChIInChI=1S/C22H19FN2O3S/c1-26-17-4-2-5-18(12-17)27-10-3-11-28-21-20-19(13-29-22(20)25-14-24-21)15-6-8-16(23)9-7-15/h2,4-9,12-14H,3,10-11H2,1H3
InChIKeySFJYZAMUKNWMQY-UHFFFAOYSA-N
XLogP5.35
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine
CID 11668030
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
CID 68534883
methyl 5-[3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxypropoxy]pyridine-3-carboxylate
CID 11503064
1-[4-[3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxypropoxy]phenyl]pentan-2-one
CID 59145660
5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 3760290
N-[(2,5-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347907
5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 1228156
4-[(3-methoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 2024163
4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine
CID 2443282
5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 7629324
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanone
CID 2483989
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine (CID 11538792) is 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine is COc1cccc(OCCCOc2ncnc3scc(-c4ccc(F)cc4)c23)c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine?
The InChIKey is SFJYZAMUKNWMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c1-26-17-4-2-5-18(12-17)27-10-3-11-28-21-20-19(13-29-22(20)25-14-24-21)15-6-8-16(23)9-7-15/h2,4-9,12-14H,3,10-11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine has a molecular weight of 410.47 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 11538792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).