ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate

C8H10N2O3 — CID 133059206

IUPACethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-2-13-8(12)5-6-9-4-3-7(11)10-6/h3-4H,2,5H2,1H3,(H,9,10,11)
InChIKeyIPMGKEHOYATNTN-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.12
Rot. Bonds3

About ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate

ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate (PubChem CID 133059206) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate
PubChem CID133059206
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-2-13-8(12)5-6-9-4-3-7(11)10-6/h3-4H,2,5H2,1H3,(H,9,10,11)
InChIKeyIPMGKEHOYATNTN-UHFFFAOYSA-N
XLogP-0.12
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 12363082
Ethyl 2-(4-amino-6-hydroxypyrimidin-2-yl)acetate
CID 135667643
2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146592
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146593
(R)-2-(1-Butyryloxy-ethyl)-3H-pyrimidin-4-one
CID 10910803
(R)-2-(1-Acetoxy-ethyl)-3H-pyrimidin-4-one
CID 11105982
(6-Oxo-1,6-dihydropyrimidin-2-yl)acetic acid
CID 12420733
ethyl 3-(6-oxo-1H-pyrimidin-2-yl)propanoate
CID 20213331
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
CID 22328645
1-(s)-(4-Hydroxy-pyrimidin-2-yl)-ethyl butyrate
CID 54317907
Isopropyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 91042281

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate (CID 133059206) is ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate is CCOC(=O)Cc1nccc(=O)[nH]1.
What is the InChIKey of ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate?
The InChIKey is IPMGKEHOYATNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-13-8(12)5-6-9-4-3-7(11)10-6/h3-4H,2,5H2,1H3,(H,9,10,11).
What are the key properties of ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate?
ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate has a molecular weight of 182.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-1H-pyrimidin-2-yl)acetate is sourced from PubChem (CID 133059206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).