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

C9H13N3O3 — CID 137007627

IUPACmethyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCN(CC(=O)OC)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H13N3O3/c1-3-12(5-9(14)15-2)7-4-8(13)11-6-10-7/h4,6H,3,5H2,1-2H3,(H,10,11,13)
InChIKeyGCAFRAAZQQVLBZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.23
Rot. Bonds4

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

methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 137007627) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID137007627
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCN(CC(=O)OC)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H13N3O3/c1-3-12(5-9(14)15-2)7-4-8(13)11-6-10-7/h4,6H,3,5H2,1-2H3,(H,10,11,13)
InChIKeyGCAFRAAZQQVLBZ-UHFFFAOYSA-N
XLogP-0.23
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 137007627) is methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate is CCN(CC(=O)OC)c1cc(=O)[nH]cn1.
What is the InChIKey of methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is GCAFRAAZQQVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-12(5-9(14)15-2)7-4-8(13)11-6-10-7/h4,6H,3,5H2,1-2H3,(H,10,11,13).
What are the key properties of methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 137007627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).