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

C10H15N3O3 — CID 57160758

IUPAC[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
SMILESCCN(CC)c1nc(OC(C)=O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-4-13(5-2)10-11-8(15)6-9(12-10)16-7(3)14/h6H,4-5H2,1-3H3,(H,11,12,15)
InChIKeyOQTBGDVWSCRGMF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.54
Rot. Bonds4

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

[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate (PubChem CID 57160758) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate.

Molecular Properties

Compound Name[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
PubChem CID57160758
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
SMILESCCN(CC)c1nc(OC(C)=O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-4-13(5-2)10-11-8(15)6-9(12-10)16-7(3)14/h6H,4-5H2,1-3H3,(H,11,12,15)
InChIKeyOQTBGDVWSCRGMF-UHFFFAOYSA-N
XLogP0.54
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The IUPAC name of [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate (CID 57160758) is [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate.
What is the SMILES notation for [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The canonical SMILES for [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate is CCN(CC)c1nc(OC(C)=O)cc(=O)[nH]1.
What is the InChIKey of [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The InChIKey is OQTBGDVWSCRGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-13(5-2)10-11-8(15)6-9(12-10)16-7(3)14/h6H,4-5H2,1-3H3,(H,11,12,15).
What are the key properties of [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate has a molecular weight of 225.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate is sourced from PubChem (CID 57160758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).