5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one

C10H16N4O — CID 162725266

IUPAC5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCCN(c2cnc[nH]c2=O)C1
InChIInChI=1S/C10H16N4O/c1-11-8-3-2-4-14(6-8)9-5-12-7-13-10(9)15/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyFFCIYZPWFGYODT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.04
Rot. Bonds2

About 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one

5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 162725266) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID162725266
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCCN(c2cnc[nH]c2=O)C1
InChIInChI=1S/C10H16N4O/c1-11-8-3-2-4-14(6-8)9-5-12-7-13-10(9)15/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyFFCIYZPWFGYODT-UHFFFAOYSA-N
XLogP-0.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one (CID 162725266) is 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one is CNC1CCCN(c2cnc[nH]c2=O)C1.
What is the InChIKey of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FFCIYZPWFGYODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-11-8-3-2-4-14(6-8)9-5-12-7-13-10(9)15/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,15).
What are the key properties of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 162725266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).