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

C8H12FN5 — CID 18328119

IUPAC5-fluoro-2-piperazin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCNCC2)ncc1F
InChIInChI=1S/C8H12FN5/c9-6-5-12-8(13-7(6)10)14-3-1-11-2-4-14/h5,11H,1-4H2,(H2,10,12,13)
InChIKeyGONJGFOWTXHFCS-UHFFFAOYSA-N
MW197.22 g/mol
LogP-0.39
Rot. Bonds1

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

5-fluoro-2-piperazin-1-ylpyrimidin-4-amine (PubChem CID 18328119) has the molecular formula C8H12FN5 and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-piperazin-1-ylpyrimidin-4-amine
PubChem CID18328119
Molecular FormulaC8H12FN5
Molecular Weight197.22 g/mol
Exact Mass197.11
IUPAC Name5-fluoro-2-piperazin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCNCC2)ncc1F
InChIInChI=1S/C8H12FN5/c9-6-5-12-8(13-7(6)10)14-3-1-11-2-4-14/h5,11H,1-4H2,(H2,10,12,13)
InChIKeyGONJGFOWTXHFCS-UHFFFAOYSA-N
XLogP-0.39
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine (CID 18328119) is 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine is Nc1nc(N2CCNCC2)ncc1F.
What is the InChIKey of 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is GONJGFOWTXHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN5/c9-6-5-12-8(13-7(6)10)14-3-1-11-2-4-14/h5,11H,1-4H2,(H2,10,12,13).
What are the key properties of 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine?
5-fluoro-2-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 197.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 18328119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).