N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

C15H14FN3S — CID 60966377

IUPACN-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Cc1ccc(F)cc1)Nc1ncnc2sccc12
InChIInChI=1S/C15H14FN3S/c1-10(8-11-2-4-12(16)5-3-11)19-14-13-6-7-20-15(13)18-9-17-14/h2-7,9-10H,8H2,1H3,(H,17,18,19)
InChIKeyOPEXCRBAYFFVQM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 60966377) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID60966377
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Cc1ccc(F)cc1)Nc1ncnc2sccc12
InChIInChI=1S/C15H14FN3S/c1-10(8-11-2-4-12(16)5-3-11)19-14-13-6-7-20-15(13)18-9-17-14/h2-7,9-10H,8H2,1H3,(H,17,18,19)
InChIKeyOPEXCRBAYFFVQM-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 60966377) is N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is CC(Cc1ccc(F)cc1)Nc1ncnc2sccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OPEXCRBAYFFVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-10(8-11-2-4-12(16)5-3-11)19-14-13-6-7-20-15(13)18-9-17-14/h2-7,9-10H,8H2,1H3,(H,17,18,19).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60966377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).