2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C10H12F3N3OS — CID 103150485

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-17-2-1-8-15-7-4-18-3-6(7)9(14)16-8/h1-5H2,(H2,14,15,16)
InChIKeyOMMCXJJHCMNLAJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.93
Rot. Bonds4

About 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103150485) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103150485
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-17-2-1-8-15-7-4-18-3-6(7)9(14)16-8/h1-5H2,(H2,14,15,16)
InChIKeyOMMCXJJHCMNLAJ-UHFFFAOYSA-N
XLogP1.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103150485) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(CCOCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is OMMCXJJHCMNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)5-17-2-1-8-15-7-4-18-3-6(7)9(14)16-8/h1-5H2,(H2,14,15,16).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103150485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).