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

C12H6ClFN2OS — CID 103319903

IUPAC2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
SMILESFc1ccccc1Oc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H6ClFN2OS/c13-12-15-10(7-5-6-18-11(7)16-12)17-9-4-2-1-3-8(9)14/h1-6H
InChIKeyWMRIOEKVCVBUJS-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.28
Rot. Bonds2

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

2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine (PubChem CID 103319903) has the molecular formula C12H6ClFN2OS and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
PubChem CID103319903
Molecular FormulaC12H6ClFN2OS
Molecular Weight280.71 g/mol
Exact Mass279.99
IUPAC Name2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
SMILESFc1ccccc1Oc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H6ClFN2OS/c13-12-15-10(7-5-6-18-11(7)16-12)17-9-4-2-1-3-8(9)14/h1-6H
InChIKeyWMRIOEKVCVBUJS-UHFFFAOYSA-N
XLogP4.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
2-(2-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 133405453
2-chloro-4-(2,4-difluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103319870
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine (CID 103319903) is 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine is Fc1ccccc1Oc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is WMRIOEKVCVBUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2OS/c13-12-15-10(7-5-6-18-11(7)16-12)17-9-4-2-1-3-8(9)14/h1-6H.
What are the key properties of 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 280.71 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).