N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C13H11F4N3 — CID 114563258

IUPACN-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccccc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F4N3/c1-2-18-12-19-10(7-11(20-12)13(15,16)17)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyXIFRXWBDAQNCGY-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.73
Rot. Bonds3

About N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563258) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563258
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC NameN-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccccc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H11F4N3/c1-2-18-12-19-10(7-11(20-12)13(15,16)17)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyXIFRXWBDAQNCGY-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-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-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

Related Compounds

4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563418
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 91926616
N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563476
N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566398
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563172
2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine
CID 133089017
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563258) is N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(-c2ccccc2F)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XIFRXWBDAQNCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c1-2-18-12-19-10(7-11(20-12)13(15,16)17)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-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-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).