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

C19H13FN2O2S — CID 982611

IUPAC5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H13FN2O2S/c1-23-15-4-2-3-5-16(15)24-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3
InChIKeyJJCMKGPRWFZMGJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.30
Rot. Bonds4

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

5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 982611) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID982611
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H13FN2O2S/c1-23-15-4-2-3-5-16(15)24-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3
InChIKeyJJCMKGPRWFZMGJ-UHFFFAOYSA-N
XLogP5.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine (CID 982611) is 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine is COc1ccccc1Oc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is JJCMKGPRWFZMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c1-23-15-4-2-3-5-16(15)24-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 352.39 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 982611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).