6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine

C13H8BrClN2S — CID 65306995

IUPAC6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine
SMILESCc1ccc(Br)cc1-c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C13H8BrClN2S/c1-7-2-3-8(14)4-9(7)11-5-10-12(18-11)13(15)17-6-16-10/h2-6H,1H3
InChIKeyZVJKOFHXFPODEZ-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.08
Rot. Bonds1

About 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine

6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine (PubChem CID 65306995) has the molecular formula C13H8BrClN2S and a molecular weight of 339.65 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine
PubChem CID65306995
Molecular FormulaC13H8BrClN2S
Molecular Weight339.65 g/mol
Exact Mass337.93
IUPAC Name6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine
SMILESCc1ccc(Br)cc1-c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C13H8BrClN2S/c1-7-2-3-8(14)4-9(7)11-5-10-12(18-11)13(15)17-6-16-10/h2-6H,1H3
InChIKeyZVJKOFHXFPODEZ-UHFFFAOYSA-N
XLogP5.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine (CID 65306995) is 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine is Cc1ccc(Br)cc1-c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine?
The InChIKey is ZVJKOFHXFPODEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2S/c1-7-2-3-8(14)4-9(7)11-5-10-12(18-11)13(15)17-6-16-10/h2-6H,1H3.
What are the key properties of 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine?
6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine has a molecular weight of 339.65 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 65306995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).