methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate

C13H19N3O4 — CID 137007735

IUPACmethyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCCc1nc(N2CCOC(CC(=O)OC)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-3-10-14-11(7-12(17)15-10)16-4-5-20-9(8-16)6-13(18)19-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyJYHHFGZMRXVWRI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.10
Rot. Bonds4

About methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate

methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (PubChem CID 137007735) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
PubChem CID137007735
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCCc1nc(N2CCOC(CC(=O)OC)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-3-10-14-11(7-12(17)15-10)16-4-5-20-9(8-16)6-13(18)19-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyJYHHFGZMRXVWRI-UHFFFAOYSA-N
XLogP0.10
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (CID 137007735) is methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is CCc1nc(N2CCOC(CC(=O)OC)C2)cc(=O)[nH]1.
What is the InChIKey of methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The InChIKey is JYHHFGZMRXVWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-10-14-11(7-12(17)15-10)16-4-5-20-9(8-16)6-13(18)19-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate has a molecular weight of 281.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 137007735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).