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

C12H8FN3S — CID 2466324

IUPACN-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C12H8FN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16)
InChIKeyXNXNPONJGOEOND-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.57
Rot. Bonds2

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

N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2466324) has the molecular formula C12H8FN3S and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2466324
Molecular FormulaC12H8FN3S
Molecular Weight245.28 g/mol
Exact Mass245.04
IUPAC NameN-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C12H8FN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16)
InChIKeyXNXNPONJGOEOND-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2466324) is N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Fc1cccc(Nc2ncnc3sccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XNXNPONJGOEOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16).
What are the key properties of N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 245.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2466324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).