N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H11F4N3 — CID 74244795

IUPACN-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCNc1ccnc(-c2cccc(C(F)(F)F)c2F)n1
InChIInChI=1S/C13H11F4N3/c1-2-18-10-6-7-19-12(20-10)8-4-3-5-9(11(8)14)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyHCPRROJFNZRHPW-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.73
Rot. Bonds3

About N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 74244795) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID74244795
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC NameN-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCNc1ccnc(-c2cccc(C(F)(F)F)c2F)n1
InChIInChI=1S/C13H11F4N3/c1-2-18-10-6-7-19-12(20-10)8-4-3-5-9(11(8)14)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyHCPRROJFNZRHPW-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]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 N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 74244795) is N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCNc1ccnc(-c2cccc(C(F)(F)F)c2F)n1.
What is the InChIKey of N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is HCPRROJFNZRHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c1-2-18-10-6-7-19-12(20-10)8-4-3-5-9(11(8)14)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 285.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 74244795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).