N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C16H14F3N3OS — CID 47984115

IUPACN-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3OS/c1-10(22-14-13-6-7-24-15(13)21-9-20-14)11-2-4-12(5-3-11)23-8-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyPMEMJBNCTOZIQR-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.81
Rot. Bonds5

About N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 47984115) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID47984115
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC NameN-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3OS/c1-10(22-14-13-6-7-24-15(13)21-9-20-14)11-2-4-12(5-3-11)23-8-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyPMEMJBNCTOZIQR-UHFFFAOYSA-N
XLogP4.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9196052
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-7H-purin-6-amine
CID 47984131
N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 100938418
N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60730692
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
sodium;N-[1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine;N-[1-(4-iodophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine;N-methylbutan-1-amine;iodide
CID 167656146
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 47984115) is N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PMEMJBNCTOZIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-10(22-14-13-6-7-24-15(13)21-9-20-14)11-2-4-12(5-3-11)23-8-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,20,21,22).
What are the key properties of N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 353.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 47984115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).