N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C11H14F3N3O — CID 63184597

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)(F)COCCNc1ncnc2c1CCC2
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-4-15-10-8-2-1-3-9(8)16-7-17-10/h7H,1-6H2,(H,15,16,17)
InChIKeyHPVSUWSMGFFMCJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63184597) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63184597
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)(F)COCCNc1ncnc2c1CCC2
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-4-15-10-8-2-1-3-9(8)16-7-17-10/h7H,1-6H2,(H,15,16,17)
InChIKeyHPVSUWSMGFFMCJ-UHFFFAOYSA-N
XLogP1.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63184597) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is FC(F)(F)COCCNc1ncnc2c1CCC2.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is HPVSUWSMGFFMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-4-15-10-8-2-1-3-9(8)16-7-17-10/h7H,1-6H2,(H,15,16,17).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 261.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63184597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).