N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

C14H10ClF3N6O — CID 155744140

IUPACN-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1cccc(Cl)n1
InChIInChI=1S/C14H10ClF3N6O/c1-7(9-3-2-4-10(15)22-9)21-13-19-5-8(6-20-13)11-23-12(25-24-11)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyMHCGILFVJSDKKW-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine

N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 155744140) has the molecular formula C14H10ClF3N6O and a molecular weight of 370.72 g/mol. Its IUPAC name is N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID155744140
Molecular FormulaC14H10ClF3N6O
Molecular Weight370.72 g/mol
Exact Mass370.06
IUPAC NameN-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1cccc(Cl)n1
InChIInChI=1S/C14H10ClF3N6O/c1-7(9-3-2-4-10(15)22-9)21-13-19-5-8(6-20-13)11-23-12(25-24-11)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyMHCGILFVJSDKKW-UHFFFAOYSA-N
XLogP3.77
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-(6-chloro-2-pyridinyl)ethyl]-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-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 155744140) is N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is CC(Nc1ncc(-c2noc(C(F)(F)F)n2)cn1)c1cccc(Cl)n1.
What is the InChIKey of N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is MHCGILFVJSDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N6O/c1-7(9-3-2-4-10(15)22-9)21-13-19-5-8(6-20-13)11-23-12(25-24-11)14(16,17)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 370.72 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155744140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).