7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine

C6HBrCl2N2S — CID 18326422

IUPAC7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2scc(Br)c2n1
InChIInChI=1S/C6HBrCl2N2S/c7-2-1-12-4-3(2)10-6(9)11-5(4)8/h1H
InChIKeySELNIRJYLYMJKG-UHFFFAOYSA-N
MW283.97 g/mol
LogP3.76
Rot. Bonds

About 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine

7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine (PubChem CID 18326422) has the molecular formula C6HBrCl2N2S and a molecular weight of 283.97 g/mol. Its IUPAC name is 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine
PubChem CID18326422
Molecular FormulaC6HBrCl2N2S
Molecular Weight283.97 g/mol
Exact Mass281.84
IUPAC Name7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2scc(Br)c2n1
InChIInChI=1S/C6HBrCl2N2S/c7-2-1-12-4-3(2)10-6(9)11-5(4)8/h1H
InChIKeySELNIRJYLYMJKG-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine (CID 18326422) is 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine is Clc1nc(Cl)c2scc(Br)c2n1.
What is the InChIKey of 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
The InChIKey is SELNIRJYLYMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl2N2S/c7-2-1-12-4-3(2)10-6(9)11-5(4)8/h1H.
What are the key properties of 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine has a molecular weight of 283.97 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 18326422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).