2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C12H9BrFN3S — CID 83201580

IUPAC2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)c(F)c2)nc2c1CSC2
InChIInChI=1S/C12H9BrFN3S/c13-8-2-1-6(3-9(8)14)12-16-10-5-18-4-7(10)11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)
InChIKeyPOOGPEYOPMNOHS-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.37
Rot. Bonds1

About 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83201580) has the molecular formula C12H9BrFN3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83201580
Molecular FormulaC12H9BrFN3S
Molecular Weight326.19 g/mol
Exact Mass324.97
IUPAC Name2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)c(F)c2)nc2c1CSC2
InChIInChI=1S/C12H9BrFN3S/c13-8-2-1-6(3-9(8)14)12-16-10-5-18-4-7(10)11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)
InChIKeyPOOGPEYOPMNOHS-UHFFFAOYSA-N
XLogP3.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83201580) is 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccc(Br)c(F)c2)nc2c1CSC2.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is POOGPEYOPMNOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3S/c13-8-2-1-6(3-9(8)14)12-16-10-5-18-4-7(10)11(15)17-12/h1-3H,4-5H2,(H2,15,16,17).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 326.19 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83201580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).