methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate

C11H17N3O4 — CID 60705946

IUPACmethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H17N3O4/c1-12(7-10(16)18-4)6-8-5-9(15)14(3)11(17)13(8)2/h5H,6-7H2,1-4H3
InChIKeyWLWVVXZHOFOBDW-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.31
Rot. Bonds4

About methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate

methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate (PubChem CID 60705946) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate
PubChem CID60705946
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H17N3O4/c1-12(7-10(16)18-4)6-8-5-9(15)14(3)11(17)13(8)2/h5H,6-7H2,1-4H3
InChIKeyWLWVVXZHOFOBDW-UHFFFAOYSA-N
XLogP-1.31
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate with MolForge

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Related Compounds

Methyl 2-[cyclopropyl-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]amino]propanoate
CID 53578384
Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans
CID 5468906
6-[[Butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47040062
Methyl 2-[3-methyl-2,4-dioxo-6-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 137454045
Isopropyl 2-(1-isopropoxycarbonylmethyl-6-methyl-2,4-di-oxo-1,2,3,4-tetrahydropyrimidin-3-yl)acetate
CID 12129796
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetic acid methyl ester
CID 15047492
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
2-[6-(Acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate
CID 850979
dimethyl (Z)-2-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]but-2-enedioate
CID 10519154
Methyl 1,3-dibutyl-2,6-dioxopyrimidine-4-carboxylate
CID 59363748
Methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate
CID 59363764
1,3-Bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione
CID 69181243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate (CID 60705946) is methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate?
The InChIKey is WLWVVXZHOFOBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-12(7-10(16)18-4)6-8-5-9(15)14(3)11(17)13(8)2/h5H,6-7H2,1-4H3.
What are the key properties of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate?
methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate has a molecular weight of 255.27 g/mol, XLogP of -1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate is sourced from PubChem (CID 60705946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).