4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C13H11ClF3N3 — CID 82461228

IUPAC4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Nc1nc(Cl)cc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H11ClF3N3/c1-8(9-5-3-2-4-6-9)18-12-19-10(13(15,16)17)7-11(14)20-12/h2-8H,1H3,(H,18,19,20)
InChIKeyAMHHUFLTZRIXHD-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.32
Rot. Bonds3

About 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 82461228) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID82461228
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Nc1nc(Cl)cc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H11ClF3N3/c1-8(9-5-3-2-4-6-9)18-12-19-10(13(15,16)17)7-11(14)20-12/h2-8H,1H3,(H,18,19,20)
InChIKeyAMHHUFLTZRIXHD-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

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Related Compounds

6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
N-[1-(3-bromophenyl)ethyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562409
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 116795404
N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 142022643
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
CID 53385565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 82461228) is 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is CC(Nc1nc(Cl)cc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AMHHUFLTZRIXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-8(9-5-3-2-4-6-9)18-12-19-10(13(15,16)17)7-11(14)20-12/h2-8H,1H3,(H,18,19,20).
What are the key properties of 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-N-(1-phenylethyl)-6-(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 4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 82461228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).