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

C13H9F3N6O — CID 71577043

IUPACN-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NCc3cccnc3)nc2)no1
InChIInChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-2-1-3-17-4-8/h1-4,6-7H,5H2,(H,18,19,20)
InChIKeyALZUIFJAXCAFHL-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.55
Rot. Bonds4

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

N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 71577043) has the molecular formula C13H9F3N6O and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID71577043
Molecular FormulaC13H9F3N6O
Molecular Weight322.25 g/mol
Exact Mass322.08
IUPAC NameN-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NCc3cccnc3)nc2)no1
InChIInChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-2-1-3-17-4-8/h1-4,6-7H,5H2,(H,18,19,20)
InChIKeyALZUIFJAXCAFHL-UHFFFAOYSA-N
XLogP2.55
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine
CID 2761146
2-methyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]propanamide
CID 1488506
N-[2-(4-pyridinyl)-4-pyrimidinyl]cyclopropanecarboxamide
CID 1488509
N-[2-(3-pyridinyl)-4-pyrimidinyl]propanamide
CID 1488512
N-(3-pyridinylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 1512155
N-hydroxy-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 57382290
3-Chloro-N-[1-(pyridin-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 71565459
N-methyl-N-(pyridin-4-ylmethyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 71576964
US9670193, 4 N-benzyl-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine (TFA-salt)
CID 71576965
US9670193, 5 N-((2-chloropyridin-4-yl)methyl)-N-methyl-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine (TFA-salt)
CID 71577038
US9670193, 6 N-(pyridin-4-ylmethyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 71577039
US9670193, 7 N-(1-phenylethyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 71577040

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 71577043) is N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is FC(F)(F)c1nc(-c2cnc(NCc3cccnc3)nc2)no1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is ALZUIFJAXCAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-2-1-3-17-4-8/h1-4,6-7H,5H2,(H,18,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 322.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71577043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).