ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate

C17H20N2O5 — CID 18415006

IUPACethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C)c(=O)n(COCc2ccccc2)c1=O
InChIInChI=1S/C17H20N2O5/c1-3-24-15(20)10-18-9-13(2)16(21)19(17(18)22)12-23-11-14-7-5-4-6-8-14/h4-9H,3,10-12H2,1-2H3
InChIKeyJALKXOOUTUZSBN-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.06
Rot. Bonds7

About ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate

ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate (PubChem CID 18415006) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
PubChem CID18415006
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C)c(=O)n(COCc2ccccc2)c1=O
InChIInChI=1S/C17H20N2O5/c1-3-24-15(20)10-18-9-13(2)16(21)19(17(18)22)12-23-11-14-7-5-4-6-8-14/h4-9H,3,10-12H2,1-2H3
InChIKeyJALKXOOUTUZSBN-UHFFFAOYSA-N
XLogP1.06
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 163462015
1-[(4S)-5-hydroxy-4-methyloxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59973990
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
CID 102940695
5-methyl-3-(phenylmethoxymethyl)-1-[(1R,3S,4R)-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 11606312
ethyl 3-(3-benzyl-5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 805490
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
ethyl 2-[5-[(4-fluorophenyl)methyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 10433248
ethyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate
CID 4101849
ethyl 2-(3-benzylsulfanylindol-1-yl)acetate
CID 43949304
ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800101
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate?
The IUPAC name of ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate (CID 18415006) is ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate is CCOC(=O)Cn1cc(C)c(=O)n(COCc2ccccc2)c1=O.
What is the InChIKey of ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate?
The InChIKey is JALKXOOUTUZSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-3-24-15(20)10-18-9-13(2)16(21)19(17(18)22)12-23-11-14-7-5-4-6-8-14/h4-9H,3,10-12H2,1-2H3.
What are the key properties of ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate?
ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate has a molecular weight of 332.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate is sourced from PubChem (CID 18415006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).