5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine

C8H11FN4O — CID 66649936

IUPAC5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine
SMILESNc1nc(OC2CCNC2)ncc1F
InChIInChI=1S/C8H11FN4O/c9-6-4-12-8(13-7(6)10)14-5-1-2-11-3-5/h4-5,11H,1-3H2,(H2,10,12,13)
InChIKeyLSGSMTSDZNYAEH-UHFFFAOYSA-N
MW198.20 g/mol
LogP-0.06
Rot. Bonds2

About 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine

5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine (PubChem CID 66649936) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine
PubChem CID66649936
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine
SMILESNc1nc(OC2CCNC2)ncc1F
InChIInChI=1S/C8H11FN4O/c9-6-4-12-8(13-7(6)10)14-5-1-2-11-3-5/h4-5,11H,1-3H2,(H2,10,12,13)
InChIKeyLSGSMTSDZNYAEH-UHFFFAOYSA-N
XLogP-0.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine (CID 66649936) is 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine is Nc1nc(OC2CCNC2)ncc1F.
What is the InChIKey of 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine?
The InChIKey is LSGSMTSDZNYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-6-4-12-8(13-7(6)10)14-5-1-2-11-3-5/h4-5,11H,1-3H2,(H2,10,12,13).
What are the key properties of 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine?
5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine has a molecular weight of 198.20 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 66649936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).