4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine

C11H17FN4 — CID 80766889

IUPAC4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
SMILESCC1CC(C)CN(c2nc(N)ncc2F)C1
InChIInChI=1S/C11H17FN4/c1-7-3-8(2)6-16(5-7)10-9(12)4-14-11(13)15-10/h4,7-8H,3,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyIOUWCEKQPVTVGO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.68
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine

4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80766889) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
PubChem CID80766889
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
SMILESCC1CC(C)CN(c2nc(N)ncc2F)C1
InChIInChI=1S/C11H17FN4/c1-7-3-8(2)6-16(5-7)10-9(12)4-14-11(13)15-10/h4,7-8H,3,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyIOUWCEKQPVTVGO-UHFFFAOYSA-N
XLogP1.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine (CID 80766889) is 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine is CC1CC(C)CN(c2nc(N)ncc2F)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is IOUWCEKQPVTVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-7-3-8(2)6-16(5-7)10-9(12)4-14-11(13)15-10/h4,7-8H,3,5-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80766889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).