N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine

C19H18F3N5 — CID 174411839

IUPACN-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1cccc(CCCNc2ncc(C(F)(F)F)c(-c3ccncc3)n2)c1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)16-12-26-18(27-17(16)14-6-9-24-10-7-14)25-8-2-4-13-3-1-5-15(23)11-13/h1,3,5-7,9-12H,2,4,8,23H2,(H,25,26,27)
InChIKeyFDURZYMYBGTMOE-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.18
Rot. Bonds6

About N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine

N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 174411839) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID174411839
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC NameN-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1cccc(CCCNc2ncc(C(F)(F)F)c(-c3ccncc3)n2)c1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)16-12-26-18(27-17(16)14-6-9-24-10-7-14)25-8-2-4-13-3-1-5-15(23)11-13/h1,3,5-7,9-12H,2,4,8,23H2,(H,25,26,27)
InChIKeyFDURZYMYBGTMOE-UHFFFAOYSA-N
XLogP4.18
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 174411839) is N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine is Nc1cccc(CCCNc2ncc(C(F)(F)F)c(-c3ccncc3)n2)c1.
What is the InChIKey of N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FDURZYMYBGTMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c20-19(21,22)16-12-26-18(27-17(16)14-6-9-24-10-7-14)25-8-2-4-13-3-1-5-15(23)11-13/h1,3,5-7,9-12H,2,4,8,23H2,(H,25,26,27).
What are the key properties of N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 373.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 174411839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).