N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine

C14H13F4N3 — CID 107290514

IUPACN-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(-c2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C14H13F4N3/c1-3-19-13-20-8(2)6-12(21-13)9-4-5-10(11(15)7-9)14(16,17)18/h4-7H,3H2,1-2H3,(H,19,20,21)
InChIKeyNQBDDDAZXFOFIJ-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.04
Rot. Bonds3

About N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine

N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine (PubChem CID 107290514) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
PubChem CID107290514
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC NameN-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(-c2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C14H13F4N3/c1-3-19-13-20-8(2)6-12(21-13)9-4-5-10(11(15)7-9)14(16,17)18/h4-7H,3H2,1-2H3,(H,19,20,21)
InChIKeyNQBDDDAZXFOFIJ-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-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-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine (CID 107290514) is N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(-c2ccc(C(F)(F)F)c(F)c2)n1.
What is the InChIKey of N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine?
The InChIKey is NQBDDDAZXFOFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-3-19-13-20-8(2)6-12(21-13)9-4-5-10(11(15)7-9)14(16,17)18/h4-7H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine?
N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine has a molecular weight of 299.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 107290514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).