ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate

C9H10N2O3 — CID 169480006

IUPACethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ncc(O)cn1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)4-3-8-10-5-7(12)6-11-8/h3-6,12H,2H2,1H3
InChIKeyMBECOYZXYYTRNW-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.76
Rot. Bonds3

About ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate

ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate (PubChem CID 169480006) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate
PubChem CID169480006
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Nameethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ncc(O)cn1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)4-3-8-10-5-7(12)6-11-8/h3-6,12H,2H2,1H3
InChIKeyMBECOYZXYYTRNW-UHFFFAOYSA-N
XLogP0.76
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
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-(5-cyclopropylpyrimidin-2-yl)prop-2-enoate
CID 150482819
ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate
CID 67270386
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate
CID 83764600
ethyl 3-pyrazin-2-ylprop-2-enoate
CID 123243841
ethyl 3-(2-methylsulfanylpyrimidin-5-yl)prop-2-enoate
CID 169480084
ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
CID 169480203
ethyl 3-(3,5-dibromo-4-pyridinyl)prop-2-enoate
CID 68764811
ethyl (E)-3-(5-bromopyrazin-2-yl)prop-2-enoate
CID 53259408
2-methylbutan-2-yl 3-(5-methylpyrimidin-2-yl)prop-2-enoate
CID 90894724
ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
CID 169480130
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate (CID 169480006) is ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate is CCOC(=O)C=Cc1ncc(O)cn1.
What is the InChIKey of ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate?
The InChIKey is MBECOYZXYYTRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-14-9(13)4-3-8-10-5-7(12)6-11-8/h3-6,12H,2H2,1H3.
What are the key properties of ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate?
ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate has a molecular weight of 194.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate is sourced from PubChem (CID 169480006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).