[2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H14F3N3O — CID 134539188

IUPAC[2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cnc(NCc2ccccc2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)16-8-4-7-14(9-16)17(26)15-11-24-18(25-12-15)23-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,23,24,25)
InChIKeyMXQHAKSHCGMWAU-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.34
Rot. Bonds5

About [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 134539188) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID134539188
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name[2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cnc(NCc2ccccc2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)16-8-4-7-14(9-16)17(26)15-11-24-18(25-12-15)23-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,23,24,25)
InChIKeyMXQHAKSHCGMWAU-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 134539188) is [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cnc(NCc2ccccc2)nc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is MXQHAKSHCGMWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-19(21,22)16-8-4-7-14(9-16)17(26)15-11-24-18(25-12-15)23-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,23,24,25).
What are the key properties of [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 357.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134539188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).