4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine

C11H16F3N3O — CID 112638373

IUPAC4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-2-18-9-5-8-16-10(17-9)15-7-4-3-6-11(12,13)14/h5,8H,2-4,6-7H2,1H3,(H,15,16,17)
InChIKeyFSNKJOCQUSVBIP-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.02
Rot. Bonds7

About 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine

4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine (PubChem CID 112638373) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
PubChem CID112638373
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-2-18-9-5-8-16-10(17-9)15-7-4-3-6-11(12,13)14/h5,8H,2-4,6-7H2,1H3,(H,15,16,17)
InChIKeyFSNKJOCQUSVBIP-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.02
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 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine (CID 112638373) is 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine is CCOc1ccnc(NCCCCC(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The InChIKey is FSNKJOCQUSVBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-18-9-5-8-16-10(17-9)15-7-4-3-6-11(12,13)14/h5,8H,2-4,6-7H2,1H3,(H,15,16,17).
What are the key properties of 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine has a molecular weight of 263.26 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine is sourced from PubChem (CID 112638373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).