ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate

C14H15N3O3 — CID 177191307

IUPACethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(Cn2ccccc2=O)nc1
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)7-11-8-15-12(16-9-11)10-17-6-4-3-5-13(17)18/h3-6,8-9H,2,7,10H2,1H3
InChIKeyZNYKOVVFKVUSOB-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.79
Rot. Bonds5

About ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate

ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate (PubChem CID 177191307) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate
PubChem CID177191307
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(Cn2ccccc2=O)nc1
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)7-11-8-15-12(16-9-11)10-17-6-4-3-5-13(17)18/h3-6,8-9H,2,7,10H2,1H3
InChIKeyZNYKOVVFKVUSOB-UHFFFAOYSA-N
XLogP0.79
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-phenylacetate
CID 7590
2-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1,3-oxazole-5-carboxylic acid
CID 177191367
ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
CID 82897754
ethyl 2-phenylacetate;hydrate
CID 141257001
(2-oxo-1-pyridinyl)methyl propanoate
CID 10329950
methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 175301664
ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate
CID 155796907
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
ethyl 2-(1-methyl-6-oxo-3-pyridinyl)acetate
CID 131699985
ethyl 2-imidazo[1,5-a]pyridin-1-ylacetate
CID 71222577
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263
ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate (CID 177191307) is ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate is CCOC(=O)Cc1cnc(Cn2ccccc2=O)nc1.
What is the InChIKey of ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate?
The InChIKey is ZNYKOVVFKVUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-14(19)7-11-8-15-12(16-9-11)10-17-6-4-3-5-13(17)18/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate?
ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate has a molecular weight of 273.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate is sourced from PubChem (CID 177191307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).