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

C13H9ClN2OS — CID 708734

IUPAC4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(14)15-7-16-13/h2-7H,1H3
InChIKeyMZBKUNFWNKYKSK-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.02
Rot. Bonds2

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

4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (PubChem CID 708734) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
PubChem CID708734
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(14)15-7-16-13/h2-7H,1H3
InChIKeyMZBKUNFWNKYKSK-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (CID 708734) is 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(Cl)c23)cc1.
What is the InChIKey of 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is MZBKUNFWNKYKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(14)15-7-16-13/h2-7H,1H3.
What are the key properties of 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 276.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 708734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).