N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H11ClF3N3 — CID 60726904

IUPACN-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClF3N3/c1-8(9-2-4-10(14)5-3-9)19-12-18-7-6-11(20-12)13(15,16)17/h2-8H,1H3,(H,18,19,20)
InChIKeyXBNGTGQBSZSACT-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.32
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60726904) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60726904
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClF3N3/c1-8(9-2-4-10(14)5-3-9)19-12-18-7-6-11(20-12)13(15,16)17/h2-8H,1H3,(H,18,19,20)
InChIKeyXBNGTGQBSZSACT-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-chlorophenyl)ethyl]-4-(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

N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60727078
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63091595
N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584120
4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
CID 106357554
N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029180
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 32877986
N-[1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049478
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 60726904) is N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is CC(Nc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XBNGTGQBSZSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-8(9-2-4-10(14)5-3-9)19-12-18-7-6-11(20-12)13(15,16)17/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 301.70 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60726904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).