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

C10H10F3N3OS — CID 60730692

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)COCCNc1ncnc2sccc12
InChIInChI=1S/C10H10F3N3OS/c11-10(12,13)5-17-3-2-14-8-7-1-4-18-9(7)16-6-15-8/h1,4,6H,2-3,5H2,(H,14,15,16)
InChIKeyYFXAUPAERGSNPZ-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.68
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 60730692) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID60730692
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)COCCNc1ncnc2sccc12
InChIInChI=1S/C10H10F3N3OS/c11-10(12,13)5-17-3-2-14-8-7-1-4-18-9(7)16-6-15-8/h1,4,6H,2-3,5H2,(H,14,15,16)
InChIKeyYFXAUPAERGSNPZ-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150246
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
6-chloro-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833719
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 60730692) is N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)COCCNc1ncnc2sccc12.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YFXAUPAERGSNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c11-10(12,13)5-17-3-2-14-8-7-1-4-18-9(7)16-6-15-8/h1,4,6H,2-3,5H2,(H,14,15,16).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.27 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60730692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).