2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine

C18H9ClF2N2OS — CID 71070329

IUPAC2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine
SMILESFc1ccc(Oc2nc(-c3ccc(F)c(Cl)c3)nc3ccsc23)cc1
InChIInChI=1S/C18H9ClF2N2OS/c19-13-9-10(1-6-14(13)21)17-22-15-7-8-25-16(15)18(23-17)24-12-4-2-11(20)3-5-12/h1-9H
InChIKeyHSXFYNREWXAJEU-UHFFFAOYSA-N
MW374.80 g/mol
LogP6.08
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine

2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine (PubChem CID 71070329) has the molecular formula C18H9ClF2N2OS and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine
PubChem CID71070329
Molecular FormulaC18H9ClF2N2OS
Molecular Weight374.80 g/mol
Exact Mass374.01
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine
SMILESFc1ccc(Oc2nc(-c3ccc(F)c(Cl)c3)nc3ccsc23)cc1
InChIInChI=1S/C18H9ClF2N2OS/c19-13-9-10(1-6-14(13)21)17-22-15-7-8-25-16(15)18(23-17)24-12-4-2-11(20)3-5-12/h1-9H
InChIKeyHSXFYNREWXAJEU-UHFFFAOYSA-N
XLogP6.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.80
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine (CID 71070329) is 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine is Fc1ccc(Oc2nc(-c3ccc(F)c(Cl)c3)nc3ccsc23)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine?
The InChIKey is HSXFYNREWXAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF2N2OS/c19-13-9-10(1-6-14(13)21)17-22-15-7-8-25-16(15)18(23-17)24-12-4-2-11(20)3-5-12/h1-9H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine?
2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine has a molecular weight of 374.80 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-(4-fluorophenoxy)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 71070329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).