5-fluoro-2-piperidin-1-ylpyrimidin-4-amine

C9H13FN4 — CID 745185

IUPAC5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C9H13FN4/c10-7-6-12-9(13-8(7)11)14-4-2-1-3-5-14/h6H,1-5H2,(H2,11,12,13)
InChIKeyKAQNJNCWGVBSTN-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.19
Rot. Bonds1

About 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine

5-fluoro-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 745185) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID745185
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C9H13FN4/c10-7-6-12-9(13-8(7)11)14-4-2-1-3-5-14/h6H,1-5H2,(H2,11,12,13)
InChIKeyKAQNJNCWGVBSTN-UHFFFAOYSA-N
XLogP1.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine (CID 745185) is 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine is Nc1nc(N2CCCCC2)ncc1F.
What is the InChIKey of 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is KAQNJNCWGVBSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-7-6-12-9(13-8(7)11)14-4-2-1-3-5-14/h6H,1-5H2,(H2,11,12,13).
What are the key properties of 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
5-fluoro-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 196.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 745185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).