2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one

C13H21N3O — CID 135485286

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CN2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-9-4-10(2)7-16(6-9)8-12-14-11(3)5-13(17)15-12/h5,9-10H,4,6-8H2,1-3H3,(H,14,15,17)
InChIKeyLGGCXDXBASLRDT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.56
Rot. Bonds2

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one

2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135485286) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135485286
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CN2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-9-4-10(2)7-16(6-9)8-12-14-11(3)5-13(17)15-12/h5,9-10H,4,6-8H2,1-3H3,(H,14,15,17)
InChIKeyLGGCXDXBASLRDT-UHFFFAOYSA-N
XLogP1.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one (CID 135485286) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CN2CC(C)CC(C)C2)n1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LGGCXDXBASLRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-10(2)7-16(6-9)8-12-14-11(3)5-13(17)15-12/h5,9-10H,4,6-8H2,1-3H3,(H,14,15,17).
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135485286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).