N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

C15H13F3N6O — CID 71577113

IUPACN-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccncc1
InChIInChI=1S/C15H13F3N6O/c1-2-11(9-3-5-19-6-4-9)22-14-20-7-10(8-21-14)12-23-13(25-24-12)15(16,17)18/h3-8,11H,2H2,1H3,(H,20,21,22)
InChIKeyBSYYWKPZYHEVAS-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.50
Rot. Bonds5

About N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 71577113) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID71577113
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC NameN-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccncc1
InChIInChI=1S/C15H13F3N6O/c1-2-11(9-3-5-19-6-4-9)22-14-20-7-10(8-21-14)12-23-13(25-24-12)15(16,17)18/h3-8,11H,2H2,1H3,(H,20,21,22)
InChIKeyBSYYWKPZYHEVAS-UHFFFAOYSA-N
XLogP3.50
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 71577113) is N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is CCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is BSYYWKPZYHEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-2-11(9-3-5-19-6-4-9)22-14-20-7-10(8-21-14)12-23-13(25-24-12)15(16,17)18/h3-8,11H,2H2,1H3,(H,20,21,22).
What are the key properties of N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 350.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylpropyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71577113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).