N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline

C14H11F3N4 — CID 700205

IUPACN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2cn3cccnc3n2)c1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-3-1-4-11(7-10)19-8-12-9-21-6-2-5-18-13(21)20-12/h1-7,9,19H,8H2
InChIKeyXSXILQBASPPUKB-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.36
Rot. Bonds3

About N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 700205) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID700205
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2cn3cccnc3n2)c1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-3-1-4-11(7-10)19-8-12-9-21-6-2-5-18-13(21)20-12/h1-7,9,19H,8H2
InChIKeyXSXILQBASPPUKB-UHFFFAOYSA-N
XLogP3.36
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline (CID 700205) is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCc2cn3cccnc3n2)c1.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is XSXILQBASPPUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)10-3-1-4-11(7-10)19-8-12-9-21-6-2-5-18-13(21)20-12/h1-7,9,19H,8H2.
What are the key properties of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 292.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 700205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).