4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine

C13H9ClN2OS — CID 2399341

IUPAC4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccc(Cl)c(Oc2ncnc3sccc23)c1
InChIInChI=1S/C13H9ClN2OS/c1-8-2-3-10(14)11(6-8)17-12-9-4-5-18-13(9)16-7-15-12/h2-7H,1H3
InChIKeyUOJSZXVLZWSRQU-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.45
Rot. Bonds2

About 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine

4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 2399341) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID2399341
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccc(Cl)c(Oc2ncnc3sccc23)c1
InChIInChI=1S/C13H9ClN2OS/c1-8-2-3-10(14)11(6-8)17-12-9-4-5-18-13(9)16-7-15-12/h2-7H,1H3
InChIKeyUOJSZXVLZWSRQU-UHFFFAOYSA-N
XLogP4.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine (CID 2399341) is 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine is Cc1ccc(Cl)c(Oc2ncnc3sccc23)c1.
What is the InChIKey of 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is UOJSZXVLZWSRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-2-3-10(14)11(6-8)17-12-9-4-5-18-13(9)16-7-15-12/h2-7H,1H3.
What are the key properties of 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine?
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 276.75 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2399341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).