ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate

C11H16N4O3 — CID 162639432

IUPACethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(N)=O)c1nc(C)cc(C)n1
InChIInChI=1S/C11H16N4O3/c1-4-18-9(16)6-15(10(12)17)11-13-7(2)5-8(3)14-11/h5H,4,6H2,1-3H3,(H2,12,17)
InChIKeyDKUJLRQLIFOEEM-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.54
Rot. Bonds4

About ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate

ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate (PubChem CID 162639432) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate
PubChem CID162639432
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Nameethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(N)=O)c1nc(C)cc(C)n1
InChIInChI=1S/C11H16N4O3/c1-4-18-9(16)6-15(10(12)17)11-13-7(2)5-8(3)14-11/h5H,4,6H2,1-3H3,(H2,12,17)
InChIKeyDKUJLRQLIFOEEM-UHFFFAOYSA-N
XLogP0.54
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate (CID 162639432) is ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate is CCOC(=O)CN(C(N)=O)c1nc(C)cc(C)n1.
What is the InChIKey of ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The InChIKey is DKUJLRQLIFOEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-4-18-9(16)6-15(10(12)17)11-13-7(2)5-8(3)14-11/h5H,4,6H2,1-3H3,(H2,12,17).
What are the key properties of ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate?
ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate has a molecular weight of 252.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[carbamoyl-(4,6-dimethylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 162639432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).