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

C8H11N3O3 — CID 57319143

IUPAC[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
SMILESCCNc1nc(OC(C)=O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-3-9-8-10-6(13)4-7(11-8)14-5(2)12/h4H,3H2,1-2H3,(H2,9,10,11,13)
InChIKeyNLUFTVAFMIPLKL-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.13
Rot. Bonds3

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

[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate (PubChem CID 57319143) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate.

Molecular Properties

Compound Name[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
PubChem CID57319143
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
SMILESCCNc1nc(OC(C)=O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-3-9-8-10-6(13)4-7(11-8)14-5(2)12/h4H,3H2,1-2H3,(H2,9,10,11,13)
InChIKeyNLUFTVAFMIPLKL-UHFFFAOYSA-N
XLogP0.13
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The IUPAC name of [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate (CID 57319143) is [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate.
What is the SMILES notation for [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The canonical SMILES for [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate is CCNc1nc(OC(C)=O)cc(=O)[nH]1.
What is the InChIKey of [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The InChIKey is NLUFTVAFMIPLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-9-8-10-6(13)4-7(11-8)14-5(2)12/h4H,3H2,1-2H3,(H2,9,10,11,13).
What are the key properties of [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate has a molecular weight of 197.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate is sourced from PubChem (CID 57319143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).