2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one

C12H19N3O2 — CID 79367324

IUPAC2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCCNC1
InChIInChI=1S/C12H19N3O2/c1-9-6-11(16)15(12(14-9)17-2)8-10-4-3-5-13-7-10/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyZFCFGDJSUHCUDA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.56
Rot. Bonds3

About 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one (PubChem CID 79367324) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
PubChem CID79367324
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCCNC1
InChIInChI=1S/C12H19N3O2/c1-9-6-11(16)15(12(14-9)17-2)8-10-4-3-5-13-7-10/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyZFCFGDJSUHCUDA-UHFFFAOYSA-N
XLogP0.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 63768677
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149776
2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine
CID 58306241
2,6-dimethyl-3-piperidin-3-ylpyrimidin-4-one
CID 126857734
6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 178046830
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
CID 104680701
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 112634897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one (CID 79367324) is 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CCCNC1.
What is the InChIKey of 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The InChIKey is ZFCFGDJSUHCUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-11(16)15(12(14-9)17-2)8-10-4-3-5-13-7-10/h6,10,13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 79367324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).