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

C13H9F3N6O — CID 71577455

IUPACN-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine
SMILESFC(F)(F)c1nc(-c2ncc(NCc3ccncc3)cn2)no1
InChIInChI=1S/C13H9F3N6O/c14-13(15,16)12-21-11(22-23-12)10-19-6-9(7-20-10)18-5-8-1-3-17-4-2-8/h1-4,6-7,18H,5H2
InChIKeyAOUKIPGVAQPFCX-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.55
Rot. Bonds4

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

N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine (PubChem CID 71577455) has the molecular formula C13H9F3N6O and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine
PubChem CID71577455
Molecular FormulaC13H9F3N6O
Molecular Weight322.25 g/mol
Exact Mass322.08
IUPAC NameN-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine
SMILESFC(F)(F)c1nc(-c2ncc(NCc3ccncc3)cn2)no1
InChIInChI=1S/C13H9F3N6O/c14-13(15,16)12-21-11(22-23-12)10-19-6-9(7-20-10)18-5-8-1-3-17-4-2-8/h1-4,6-7,18H,5H2
InChIKeyAOUKIPGVAQPFCX-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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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine (CID 71577455) is N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine is FC(F)(F)c1nc(-c2ncc(NCc3ccncc3)cn2)no1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine?
The InChIKey is AOUKIPGVAQPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6O/c14-13(15,16)12-21-11(22-23-12)10-19-6-9(7-20-10)18-5-8-1-3-17-4-2-8/h1-4,6-7,18H,5H2.
What are the key properties of N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine?
N-(pyridin-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-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-4-ylmethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-5-amine is sourced from PubChem (CID 71577455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).