7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine

C6H3BrClN3S — CID 86675650

IUPAC7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c(Br)csc12
InChIInChI=1S/C6H3BrClN3S/c7-2-1-12-4-3(2)10-6(8)11-5(4)9/h1H,(H2,9,10,11)
InChIKeyVARUAQRQDOJCOM-UHFFFAOYSA-N
MW264.54 g/mol
LogP2.69
Rot. Bonds

About 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine

7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine (PubChem CID 86675650) has the molecular formula C6H3BrClN3S and a molecular weight of 264.54 g/mol. Its IUPAC name is 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine
PubChem CID86675650
Molecular FormulaC6H3BrClN3S
Molecular Weight264.54 g/mol
Exact Mass262.89
IUPAC Name7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c(Br)csc12
InChIInChI=1S/C6H3BrClN3S/c7-2-1-12-4-3(2)10-6(8)11-5(4)9/h1H,(H2,9,10,11)
InChIKeyVARUAQRQDOJCOM-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine (CID 86675650) is 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine is Nc1nc(Cl)nc2c(Br)csc12.
What is the InChIKey of 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VARUAQRQDOJCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3S/c7-2-1-12-4-3(2)10-6(8)11-5(4)9/h1H,(H2,9,10,11).
What are the key properties of 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine?
7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 264.54 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 86675650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).