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

C11H14FN5O — CID 103880030

IUPAC6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nc(C)no2)c1F
InChIInChI=1S/C11H14FN5O/c1-3-8-10(12)11(15-6-14-8)13-5-4-9-16-7(2)17-18-9/h6H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyNQIGMLIYUYZTAK-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.52
Rot. Bonds5

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

6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103880030) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103880030
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nc(C)no2)c1F
InChIInChI=1S/C11H14FN5O/c1-3-8-10(12)11(15-6-14-8)13-5-4-9-16-7(2)17-18-9/h6H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyNQIGMLIYUYZTAK-UHFFFAOYSA-N
XLogP1.52
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.52
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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 103880030) is 6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NCCc2nc(C)no2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NQIGMLIYUYZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-3-8-10(12)11(15-6-14-8)13-5-4-9-16-7(2)17-18-9/h6H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 251.26 g/mol, XLogP of 1.52, 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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103880030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).