ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate

C14H21N3O4 — CID 135999710

IUPACethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-5-21-13(19)8-17(4)12(18)7-6-11-9(2)15-10(3)16-14(11)20/h5-8H2,1-4H3,(H,15,16,20)
InChIKeyWTCZHOZQOJAJJT-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.34
Rot. Bonds6

About ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate

ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate (PubChem CID 135999710) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate
PubChem CID135999710
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-5-21-13(19)8-17(4)12(18)7-6-11-9(2)15-10(3)16-14(11)20/h5-8H2,1-4H3,(H,15,16,20)
InChIKeyWTCZHOZQOJAJJT-UHFFFAOYSA-N
XLogP0.34
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate?
The IUPAC name of ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate (CID 135999710) is ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate is CCOC(=O)CN(C)C(=O)CCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate?
The InChIKey is WTCZHOZQOJAJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-5-21-13(19)8-17(4)12(18)7-6-11-9(2)15-10(3)16-14(11)20/h5-8H2,1-4H3,(H,15,16,20).
What are the key properties of ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate?
ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate has a molecular weight of 295.34 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl-methylamino]acetate is sourced from PubChem (CID 135999710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).