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

C12H6BrClFN3S — CID 118734112

IUPAC6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3sc(Br)cc23)cc1Cl
InChIInChI=1S/C12H6BrClFN3S/c13-10-4-7-11(16-5-17-12(7)19-10)18-6-1-2-9(15)8(14)3-6/h1-5H,(H,16,17,18)
InChIKeyRKAOIUASFLPAOD-UHFFFAOYSA-N
MW358.62 g/mol
LogP4.99
Rot. Bonds2

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

6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734112) has the molecular formula C12H6BrClFN3S and a molecular weight of 358.62 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118734112
Molecular FormulaC12H6BrClFN3S
Molecular Weight358.62 g/mol
Exact Mass356.91
IUPAC Name6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3sc(Br)cc23)cc1Cl
InChIInChI=1S/C12H6BrClFN3S/c13-10-4-7-11(16-5-17-12(7)19-10)18-6-1-2-9(15)8(14)3-6/h1-5H,(H,16,17,18)
InChIKeyRKAOIUASFLPAOD-UHFFFAOYSA-N
XLogP4.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 118734112) is 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3sc(Br)cc23)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RKAOIUASFLPAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3S/c13-10-4-7-11(16-5-17-12(7)19-10)18-6-1-2-9(15)8(14)3-6/h1-5H,(H,16,17,18).
What are the key properties of 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 358.62 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).