2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H11BrFN3S — CID 107281374

IUPAC2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)cc2Br)nc2sc(C)cc12
InChIInChI=1S/C14H11BrFN3S/c1-7-5-10-12(17-2)18-13(19-14(10)20-7)9-4-3-8(16)6-11(9)15/h3-6H,1-2H3,(H,17,18,19)
InChIKeyFIIYUWJYPWLKFL-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.61
Rot. Bonds2

About 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 107281374) has the molecular formula C14H11BrFN3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID107281374
Molecular FormulaC14H11BrFN3S
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC Name2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)cc2Br)nc2sc(C)cc12
InChIInChI=1S/C14H11BrFN3S/c1-7-5-10-12(17-2)18-13(19-14(10)20-7)9-4-3-8(16)6-11(9)15/h3-6H,1-2H3,(H,17,18,19)
InChIKeyFIIYUWJYPWLKFL-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 107281374) is 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2ccc(F)cc2Br)nc2sc(C)cc12.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FIIYUWJYPWLKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3S/c1-7-5-10-12(17-2)18-13(19-14(10)20-7)9-4-3-8(16)6-11(9)15/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107281374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).