6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C16H16FN5O — CID 133420358

IUPAC6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2noc(-c3ccccc3)n2)c1F
InChIInChI=1S/C16H16FN5O/c1-3-12-13(17)15(19-9-18-12)20-10(2)14-21-16(23-22-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyLCYOUCBOANGSNV-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.40
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 133420358) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID133420358
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2noc(-c3ccccc3)n2)c1F
InChIInChI=1S/C16H16FN5O/c1-3-12-13(17)15(19-9-18-12)20-10(2)14-21-16(23-22-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyLCYOUCBOANGSNV-UHFFFAOYSA-N
XLogP3.40
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 133420358) is 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NC(C)c2noc(-c3ccccc3)n2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LCYOUCBOANGSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-3-12-13(17)15(19-9-18-12)20-10(2)14-21-16(23-22-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 313.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133420358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).