ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate

C8H12N2O4 — CID 146362987

IUPACethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)CC1=CNC(O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-2-14-6(11)3-5-4-9-8(13)10-7(5)12/h4,8-9,13H,2-3H2,1H3,(H,10,12)
InChIKeyWEIHLTLSCOQMQK-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.18
Rot. Bonds3

About ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate

ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate (PubChem CID 146362987) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate
PubChem CID146362987
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)CC1=CNC(O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-2-14-6(11)3-5-4-9-8(13)10-7(5)12/h4,8-9,13H,2-3H2,1H3,(H,10,12)
InChIKeyWEIHLTLSCOQMQK-UHFFFAOYSA-N
XLogP-1.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate (CID 146362987) is ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate is CCOC(=O)CC1=CNC(O)NC1=O.
What is the InChIKey of ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate?
The InChIKey is WEIHLTLSCOQMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-14-6(11)3-5-4-9-8(13)10-7(5)12/h4,8-9,13H,2-3H2,1H3,(H,10,12).
What are the key properties of ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate?
ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 146362987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).