4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one

C11H18N4O — CID 136847746

IUPAC4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]cn2)C(CN)C1
InChIInChI=1S/C11H18N4O/c1-8-2-3-15(9(4-8)6-12)10-5-11(16)14-7-13-10/h5,7-9H,2-4,6,12H2,1H3,(H,13,14,16)
InChIKeyQOPASXRJUJGGIG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.33
Rot. Bonds2

About 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one

4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136847746) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136847746
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]cn2)C(CN)C1
InChIInChI=1S/C11H18N4O/c1-8-2-3-15(9(4-8)6-12)10-5-11(16)14-7-13-10/h5,7-9H,2-4,6,12H2,1H3,(H,13,14,16)
InChIKeyQOPASXRJUJGGIG-UHFFFAOYSA-N
XLogP0.33
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one (CID 136847746) is 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one is CC1CCN(c2cc(=O)[nH]cn2)C(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is QOPASXRJUJGGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-2-3-15(9(4-8)6-12)10-5-11(16)14-7-13-10/h5,7-9H,2-4,6,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136847746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).