6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine

C9H14FN5 — CID 123706377

IUPAC6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine
SMILESNc1ncnc(N2CCCC(N)C2)c1F
InChIInChI=1S/C9H14FN5/c10-7-8(12)13-5-14-9(7)15-3-1-2-6(11)4-15/h5-6H,1-4,11H2,(H2,12,13,14)
InChIKeyOSUPCJKEULWIQM-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.13
Rot. Bonds1

About 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine

6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine (PubChem CID 123706377) has the molecular formula C9H14FN5 and a molecular weight of 211.24 g/mol. Its IUPAC name is 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine
PubChem CID123706377
Molecular FormulaC9H14FN5
Molecular Weight211.24 g/mol
Exact Mass211.12
IUPAC Name6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine
SMILESNc1ncnc(N2CCCC(N)C2)c1F
InChIInChI=1S/C9H14FN5/c10-7-8(12)13-5-14-9(7)15-3-1-2-6(11)4-15/h5-6H,1-4,11H2,(H2,12,13,14)
InChIKeyOSUPCJKEULWIQM-UHFFFAOYSA-N
XLogP0.13
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine (CID 123706377) is 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine is Nc1ncnc(N2CCCC(N)C2)c1F.
What is the InChIKey of 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine?
The InChIKey is OSUPCJKEULWIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5/c10-7-8(12)13-5-14-9(7)15-3-1-2-6(11)4-15/h5-6H,1-4,11H2,(H2,12,13,14).
What are the key properties of 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine?
6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine has a molecular weight of 211.24 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 123706377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).