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

C10H14F3N3O2 — CID 66329209

IUPAC6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O2/c1-2-18-9-5-8(15-7-16-9)14-3-4-17-6-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyPDRZFMASUFMDBQ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.87
Rot. Bonds7

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

6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 66329209) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID66329209
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O2/c1-2-18-9-5-8(15-7-16-9)14-3-4-17-6-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyPDRZFMASUFMDBQ-UHFFFAOYSA-N
XLogP1.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.87
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 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 66329209) is 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCOc1cc(NCCOCC(F)(F)F)ncn1.
What is the InChIKey of 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is PDRZFMASUFMDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-18-9-5-8(15-7-16-9)14-3-4-17-6-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 265.23 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66329209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).