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

C11H16F3N3O2 — CID 66329207

IUPAC6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCOc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C11H16F3N3O2/c1-2-4-19-10-6-9(16-8-17-10)15-3-5-18-7-11(12,13)14/h6,8H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyPHNJCZYJGVZBLP-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.26
Rot. Bonds8

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

6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 66329207) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID66329207
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCOc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C11H16F3N3O2/c1-2-4-19-10-6-9(16-8-17-10)15-3-5-18-7-11(12,13)14/h6,8H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyPHNJCZYJGVZBLP-UHFFFAOYSA-N
XLogP2.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 66329207) is 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCCOc1cc(NCCOCC(F)(F)F)ncn1.
What is the InChIKey of 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is PHNJCZYJGVZBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-4-19-10-6-9(16-8-17-10)15-3-5-18-7-11(12,13)14/h6,8H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 279.26 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66329207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).