methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate

C11H16N2O5 — CID 169129183

IUPACmethyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)n1c(=O)cc(C)n(C)c1=O
InChIInChI=1S/C11H16N2O5/c1-7-5-9(14)13(11(16)12(7)2)8(6-17-3)10(15)18-4/h5,8H,6H2,1-4H3
InChIKeyRSUXNUJBPUZWFO-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.78
Rot. Bonds4

About methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate

methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate (PubChem CID 169129183) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate
PubChem CID169129183
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)n1c(=O)cc(C)n(C)c1=O
InChIInChI=1S/C11H16N2O5/c1-7-5-9(14)13(11(16)12(7)2)8(6-17-3)10(15)18-4/h5,8H,6H2,1-4H3
InChIKeyRSUXNUJBPUZWFO-UHFFFAOYSA-N
XLogP-0.78
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-[cyclopropyl-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]amino]propanoate
CID 53578384
Isopropyl 2-(1-isopropoxycarbonylmethyl-6-methyl-2,4-di-oxo-1,2,3,4-tetrahydropyrimidin-3-yl)acetate
CID 12129796
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
1,3-Bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione
CID 69181243
Methyl 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetate
CID 161859570
2-(3,4-Dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoic acid
CID 169129220
2-(3,6-Dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 15025796
Methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate
CID 54960613
Methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-methylamino]acetate
CID 60705946
Methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate
CID 61034787
Ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propan-2-ylamino]acetate
CID 61226677
Ethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]propanoate
CID 61498917

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate?
The IUPAC name of methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate (CID 169129183) is methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate.
What is the SMILES notation for methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate?
The canonical SMILES for methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate is COCC(C(=O)OC)n1c(=O)cc(C)n(C)c1=O.
What is the InChIKey of methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate?
The InChIKey is RSUXNUJBPUZWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7-5-9(14)13(11(16)12(7)2)8(6-17-3)10(15)18-4/h5,8H,6H2,1-4H3.
What are the key properties of methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate?
methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate has a molecular weight of 256.26 g/mol, XLogP of -0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate is sourced from PubChem (CID 169129183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).