6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C13H18F3N3O — CID 103150354

IUPAC6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-2-17-12-7-10(9-3-4-9)18-11(19-12)5-6-20-8-13(14,15)16/h7,9H,2-6,8H2,1H3,(H,17,18,19)
InChIKeyUEPRHIXHWLIBBV-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.91
Rot. Bonds7

About 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150354) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150354
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-2-17-12-7-10(9-3-4-9)18-11(19-12)5-6-20-8-13(14,15)16/h7,9H,2-6,8H2,1H3,(H,17,18,19)
InChIKeyUEPRHIXHWLIBBV-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.91
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 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150354) is 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCNc1cc(C2CC2)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is UEPRHIXHWLIBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-17-12-7-10(9-3-4-9)18-11(19-12)5-6-20-8-13(14,15)16/h7,9H,2-6,8H2,1H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 289.30 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).