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

C10H14F3N3O — CID 55262230

IUPAC6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O/c1-2-8-5-9(16-7-15-8)14-3-4-17-6-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyWWQHFVIYDFBMGB-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.03
Rot. Bonds6

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

6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 55262230) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID55262230
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O/c1-2-8-5-9(16-7-15-8)14-3-4-17-6-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyWWQHFVIYDFBMGB-UHFFFAOYSA-N
XLogP2.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.03
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-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 55262230) is 6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCc1cc(NCCOCC(F)(F)F)ncn1.
What is the InChIKey of 6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is WWQHFVIYDFBMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-8-5-9(16-7-15-8)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-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 55262230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).