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

C9H8F3N5O — CID 103744279

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCCc2ncno2)n1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)6-1-3-13-8(17-6)14-4-2-7-15-5-16-18-7/h1,3,5H,2,4H2,(H,13,14,17)
InChIKeyUIDMFDXMQDLYFL-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.53
Rot. Bonds4

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103744279) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103744279
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCCc2ncno2)n1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)6-1-3-13-8(17-6)14-4-2-7-15-5-16-18-7/h1,3,5H,2,4H2,(H,13,14,17)
InChIKeyUIDMFDXMQDLYFL-UHFFFAOYSA-N
XLogP1.53
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 103744279) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCCc2ncno2)n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UIDMFDXMQDLYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)6-1-3-13-8(17-6)14-4-2-7-15-5-16-18-7/h1,3,5H,2,4H2,(H,13,14,17).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 259.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103744279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).