5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine

C9H13FN4O — CID 44542266

IUPAC5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine
SMILESNc1nc(OC2CCNCC2)ncc1F
InChIInChI=1S/C9H13FN4O/c10-7-5-13-9(14-8(7)11)15-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H2,11,13,14)
InChIKeyWQTOZKRKBLEGQE-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.33
Rot. Bonds2

About 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine

5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine (PubChem CID 44542266) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine
PubChem CID44542266
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine
SMILESNc1nc(OC2CCNCC2)ncc1F
InChIInChI=1S/C9H13FN4O/c10-7-5-13-9(14-8(7)11)15-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H2,11,13,14)
InChIKeyWQTOZKRKBLEGQE-UHFFFAOYSA-N
XLogP0.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine (CID 44542266) is 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine is Nc1nc(OC2CCNCC2)ncc1F.
What is the InChIKey of 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine?
The InChIKey is WQTOZKRKBLEGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-5-13-9(14-8(7)11)15-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H2,11,13,14).
What are the key properties of 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine?
5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine has a molecular weight of 212.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-4-yloxypyrimidin-4-amine is sourced from PubChem (CID 44542266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).