methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate

C13H19N3O3 — CID 30324784

IUPACmethyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C13H19N3O3/c1-10-8-11(17)16(9-12(18)19-2)13(14-10)15-6-4-3-5-7-15/h8H,3-7,9H2,1-2H3
InChIKeyJJBUDXAPMIZBAW-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.72
Rot. Bonds3

About methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate

methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate (PubChem CID 30324784) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate
PubChem CID30324784
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C13H19N3O3/c1-10-8-11(17)16(9-12(18)19-2)13(14-10)15-6-4-3-5-7-15/h8H,3-7,9H2,1-2H3
InChIKeyJJBUDXAPMIZBAW-UHFFFAOYSA-N
XLogP0.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
methyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 63768646
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691
6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
CID 30322936
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
CID 30322612
methyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate
CID 3505877
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
CID 53201041
6-methyl-3-[(4-nitrophenyl)methyl]-2-piperidin-1-ylpyrimidin-4-one
CID 30322637
methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 4548131

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate (CID 30324784) is methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate is COC(=O)Cn1c(N2CCCCC2)nc(C)cc1=O.
What is the InChIKey of methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate?
The InChIKey is JJBUDXAPMIZBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-8-11(17)16(9-12(18)19-2)13(14-10)15-6-4-3-5-7-15/h8H,3-7,9H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate?
methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate has a molecular weight of 265.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetate is sourced from PubChem (CID 30324784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).