N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H14F3N5 — CID 72844452

IUPACN-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1
InChIInChI=1S/C17H14F3N5/c18-17(19,20)14-7-10-22-16(25-14)23-11-8-15-21-9-6-13(24-15)12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,22,23,25)
InChIKeyLXEZOKSUZDVZNZ-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 72844452) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID72844452
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC NameN-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1
InChIInChI=1S/C17H14F3N5/c18-17(19,20)14-7-10-22-16(25-14)23-11-8-15-21-9-6-13(24-15)12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,22,23,25)
InChIKeyLXEZOKSUZDVZNZ-UHFFFAOYSA-N
XLogP3.61
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine
CID 157016578
2-methyl-1-(2-phenylethyl)-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine
CID 111772178
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
CID 116898451
2-(2-chloroethyl)-4-phenylpyrimidine
CID 116899322
4-phenyl-2-(2-phenylethyl)pyrimidine
CID 150687160
1-phenyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethanol
CID 2795915
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid
CID 3515621
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 103704497
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 72844452) is N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1.
What is the InChIKey of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LXEZOKSUZDVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c18-17(19,20)14-7-10-22-16(25-14)23-11-8-15-21-9-6-13(24-15)12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,22,23,25).
What are the key properties of N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 345.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpyrimidin-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 72844452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).