methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate

C7H9N3O3 — CID 54286930

IUPACmethyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-13-6(12)4-9-7-8-3-2-5(11)10-7/h2-3H,4H2,1H3,(H2,8,9,10,11)
InChIKeyRUTZHUYMROKQKX-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.65
Rot. Bonds3

About methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate

methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate (PubChem CID 54286930) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate
PubChem CID54286930
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-13-6(12)4-9-7-8-3-2-5(11)10-7/h2-3H,4H2,1H3,(H2,8,9,10,11)
InChIKeyRUTZHUYMROKQKX-UHFFFAOYSA-N
XLogP-0.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate (CID 54286930) is methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate is COC(=O)CNc1nccc(=O)[nH]1.
What is the InChIKey of methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The InChIKey is RUTZHUYMROKQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-6(12)4-9-7-8-3-2-5(11)10-7/h2-3H,4H2,1H3,(H2,8,9,10,11).
What are the key properties of methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate?
methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate has a molecular weight of 183.17 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 54286930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).