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

C8H11N3O3 — CID 57133233

IUPAC[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
SMILESCC(=O)Oc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C8H11N3O3/c1-5(12)14-7-4-6(13)9-8(10-7)11(2)3/h4H,1-3H3,(H,9,10,13)
InChIKeyHGHKLGKTVFKZKK-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.24
Rot. Bonds2

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

[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate (PubChem CID 57133233) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
PubChem CID57133233
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate
SMILESCC(=O)Oc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C8H11N3O3/c1-5(12)14-7-4-6(13)9-8(10-7)11(2)3/h4H,1-3H3,(H,9,10,13)
InChIKeyHGHKLGKTVFKZKK-UHFFFAOYSA-N
XLogP-0.24
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The IUPAC name of [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate (CID 57133233) is [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate.
What is the SMILES notation for [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The canonical SMILES for [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate is CC(=O)Oc1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
The InChIKey is HGHKLGKTVFKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)14-7-4-6(13)9-8(10-7)11(2)3/h4H,1-3H3,(H,9,10,13).
What are the key properties of [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate?
[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate has a molecular weight of 197.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl] acetate is sourced from PubChem (CID 57133233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).