methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate

C11H15N3O4 — CID 43408676

IUPACmethyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O4/c1-6-8(7(2)14-11(17)13-6)4-9(15)12-5-10(16)18-3/h4-5H2,1-3H3,(H,12,15)(H,13,14,17)
InChIKeyYHWQJISRXQWKAA-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.78
Rot. Bonds4

About methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate

methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate (PubChem CID 43408676) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate
PubChem CID43408676
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O4/c1-6-8(7(2)14-11(17)13-6)4-9(15)12-5-10(16)18-3/h4-5H2,1-3H3,(H,12,15)(H,13,14,17)
InChIKeyYHWQJISRXQWKAA-UHFFFAOYSA-N
XLogP-0.78
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate (CID 43408676) is methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate?
The InChIKey is YHWQJISRXQWKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-8(7(2)14-11(17)13-6)4-9(15)12-5-10(16)18-3/h4-5H2,1-3H3,(H,12,15)(H,13,14,17).
What are the key properties of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate?
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate is sourced from PubChem (CID 43408676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).