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

C8H8FN5O — CID 106405544

IUPAC6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESFc1cc(NCCc2ncno2)ncn1
InChIInChI=1S/C8H8FN5O/c9-6-3-7(12-4-11-6)10-2-1-8-13-5-14-15-8/h3-5H,1-2H2,(H,10,11,12)
InChIKeyBZSGLKCCBIVHQP-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.65
Rot. Bonds4

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

6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106405544) has the molecular formula C8H8FN5O and a molecular weight of 209.18 g/mol. Its IUPAC name is 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106405544
Molecular FormulaC8H8FN5O
Molecular Weight209.18 g/mol
Exact Mass209.07
IUPAC Name6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESFc1cc(NCCc2ncno2)ncn1
InChIInChI=1S/C8H8FN5O/c9-6-3-7(12-4-11-6)10-2-1-8-13-5-14-15-8/h3-5H,1-2H2,(H,10,11,12)
InChIKeyBZSGLKCCBIVHQP-UHFFFAOYSA-N
XLogP0.65
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 106405544) is 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is Fc1cc(NCCc2ncno2)ncn1.
What is the InChIKey of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BZSGLKCCBIVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O/c9-6-3-7(12-4-11-6)10-2-1-8-13-5-14-15-8/h3-5H,1-2H2,(H,10,11,12).
What are the key properties of 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 209.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).