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

C10H15N3O3 — CID 135850722

IUPACethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCNc1nc(CC(=O)OCC)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-3-11-10-12-7(5-8(14)13-10)6-9(15)16-4-2/h5H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyGGHOZKGKIRUBHJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.31
Rot. Bonds5

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

ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate (PubChem CID 135850722) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
PubChem CID135850722
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCNc1nc(CC(=O)OCC)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-3-11-10-12-7(5-8(14)13-10)6-9(15)16-4-2/h5H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyGGHOZKGKIRUBHJ-UHFFFAOYSA-N
XLogP0.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate (CID 135850722) is ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate is CCNc1nc(CC(=O)OCC)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
The InChIKey is GGHOZKGKIRUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-11-10-12-7(5-8(14)13-10)6-9(15)16-4-2/h5H,3-4,6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate?
ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate has a molecular weight of 225.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate is sourced from PubChem (CID 135850722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).