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

C15H13F3N6O — CID 71577112

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCN(CCc1ccncc1)c1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C15H13F3N6O/c1-24(7-4-10-2-5-19-6-3-10)14-20-8-11(9-21-14)12-22-13(25-23-12)15(16,17)18/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyWSVOBQNYIMCNPX-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.62
Rot. Bonds5

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

N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 71577112) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID71577112
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCN(CCc1ccncc1)c1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C15H13F3N6O/c1-24(7-4-10-2-5-19-6-3-10)14-20-8-11(9-21-14)12-22-13(25-23-12)15(16,17)18/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyWSVOBQNYIMCNPX-UHFFFAOYSA-N
XLogP2.62
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 71577112) is N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is CN(CCc1ccncc1)c1ncc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is WSVOBQNYIMCNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-24(7-4-10-2-5-19-6-3-10)14-20-8-11(9-21-14)12-22-13(25-23-12)15(16,17)18/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 350.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71577112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).