4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one

C11H18N4O — CID 135978186

IUPAC4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C11H18N4O/c1-12-8-9-7-10(16)14-11(13-9)15-5-3-2-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyXTPGIKXWJFIKNH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds3

About 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135978186) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135978186
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C11H18N4O/c1-12-8-9-7-10(16)14-11(13-9)15-5-3-2-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyXTPGIKXWJFIKNH-UHFFFAOYSA-N
XLogP0.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 135978186) is 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(N2CCCCC2)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is XTPGIKXWJFIKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-12-8-9-7-10(16)14-11(13-9)15-5-3-2-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135978186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).