ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate

C9H10N2O4 — CID 169480121

IUPACethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-2-15-7(12)4-3-6-8(13)10-5-11-9(6)14/h3-5H,2H2,1H3,(H2,10,11,13,14)
InChIKeyJHUMDPHXISZBMV-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.05
Rot. Bonds3

About ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate

ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate (PubChem CID 169480121) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
PubChem CID169480121
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Nameethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-2-15-7(12)4-3-6-8(13)10-5-11-9(6)14/h3-5H,2H2,1H3,(H2,10,11,13,14)
InChIKeyJHUMDPHXISZBMV-UHFFFAOYSA-N
XLogP0.05
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enoate
CID 169480814
methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate
CID 136658234
ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 15258659
(2E)-3-(6-Methyl-4-oxo-1,4-dihydropyrimidin-5-yl)prop-2-enoic acid
CID 136797922
3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoic acid
CID 169460308
methyl 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169478646
methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169478762
ethyl 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169480007
methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate
CID 170500556
ethyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate
CID 170795800

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate (CID 169480121) is ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate is CCOC(=O)C=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
The InChIKey is JHUMDPHXISZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-15-7(12)4-3-6-8(13)10-5-11-9(6)14/h3-5H,2H2,1H3,(H2,10,11,13,14).
What are the key properties of ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate has a molecular weight of 210.19 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate is sourced from PubChem (CID 169480121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).