ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate

C8H12N4O3 — CID 54343338

IUPACethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c1-2-15-6(13)4-11-8-10-3-5(9)7(14)12-8/h3H,2,4,9H2,1H3,(H2,10,11,12,14)
InChIKeyUANIHYVTNQLZIY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.67
Rot. Bonds4

About ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate

ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate (PubChem CID 54343338) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate
PubChem CID54343338
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Nameethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c1-2-15-6(13)4-11-8-10-3-5(9)7(14)12-8/h3H,2,4,9H2,1H3,(H2,10,11,12,14)
InChIKeyUANIHYVTNQLZIY-UHFFFAOYSA-N
XLogP-0.67
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate (CID 54343338) is ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate is CCOC(=O)CNc1ncc(N)c(=O)[nH]1.
What is the InChIKey of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The InChIKey is UANIHYVTNQLZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-15-6(13)4-11-8-10-3-5(9)7(14)12-8/h3H,2,4,9H2,1H3,(H2,10,11,12,14).
What are the key properties of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate has a molecular weight of 212.21 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 54343338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).