6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine

C11H15F3N4 — CID 90245073

IUPAC6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
SMILESCCc1cc(NC2CN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C11H15F3N4/c1-2-8-3-10(16-7-15-8)17-9-4-18(5-9)6-11(12,13)14/h3,7,9H,2,4-6H2,1H3,(H,15,16,17)
InChIKeyKBKVXINJGDBZNV-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.70
Rot. Bonds4

About 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine

6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine (PubChem CID 90245073) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
PubChem CID90245073
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
SMILESCCc1cc(NC2CN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C11H15F3N4/c1-2-8-3-10(16-7-15-8)17-9-4-18(5-9)6-11(12,13)14/h3,7,9H,2,4-6H2,1H3,(H,15,16,17)
InChIKeyKBKVXINJGDBZNV-UHFFFAOYSA-N
XLogP1.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]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-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine (CID 90245073) is 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine is CCc1cc(NC2CN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The InChIKey is KBKVXINJGDBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-2-8-3-10(16-7-15-8)17-9-4-18(5-9)6-11(12,13)14/h3,7,9H,2,4-6H2,1H3,(H,15,16,17).
What are the key properties of 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine has a molecular weight of 260.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 90245073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).