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

C14H10ClF3N6O — CID 155744166

IUPACN-[1-(5-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)c1ccc(Cl)cn1
InChIInChI=1S/C14H10ClF3N6O/c1-7(10-3-2-9(15)6-19-10)22-13-20-4-8(5-21-13)11-23-12(25-24-11)14(16,17)18/h2-7H,1H3,(H,20,21,22)
InChIKeyRBVKEXNKIANNTI-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.77
Rot. Bonds4

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

N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 155744166) has the molecular formula C14H10ClF3N6O and a molecular weight of 370.72 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID155744166
Molecular FormulaC14H10ClF3N6O
Molecular Weight370.72 g/mol
Exact Mass370.06
IUPAC NameN-[1-(5-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)c1ccc(Cl)cn1
InChIInChI=1S/C14H10ClF3N6O/c1-7(10-3-2-9(15)6-19-10)22-13-20-4-8(5-21-13)11-23-12(25-24-11)14(16,17)18/h2-7H,1H3,(H,20,21,22)
InChIKeyRBVKEXNKIANNTI-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 155744166) is N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(5-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)c1ccc(Cl)cn1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is RBVKEXNKIANNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N6O/c1-7(10-3-2-9(15)6-19-10)22-13-20-4-8(5-21-13)11-23-12(25-24-11)14(16,17)18/h2-7H,1H3,(H,20,21,22).
What are the key properties of N-[1-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-[1-(5-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-(5-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155744166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).