methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate

C10H12N2O5 — CID 102454339

IUPACmethyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate
SMILESCOC(=O)Cc1cc(CC(=O)OC)[nH]c(=O)n1
InChIInChI=1S/C10H12N2O5/c1-16-8(13)4-6-3-7(5-9(14)17-2)12-10(15)11-6/h3H,4-5H2,1-2H3,(H,11,12,15)
InChIKeyJEBKKQVHVJBCQB-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.80
Rot. Bonds4

About methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate

methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate (PubChem CID 102454339) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate
PubChem CID102454339
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate
SMILESCOC(=O)Cc1cc(CC(=O)OC)[nH]c(=O)n1
InChIInChI=1S/C10H12N2O5/c1-16-8(13)4-6-3-7(5-9(14)17-2)12-10(15)11-6/h3H,4-5H2,1-2H3,(H,11,12,15)
InChIKeyJEBKKQVHVJBCQB-UHFFFAOYSA-N
XLogP-0.80
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-hydroxy-6-methylpyrimidine-4-carboxylate
CID 2746263
methyl 2-[4-(2-methoxy-2-oxoethyl)-2-sulfanylidene-1H-pyrimidin-6-yl]acetate
CID 102454338
Methyl 6-n-butyl-2-hydroxypyrimidine-4-carboxylate
CID 19791912
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
Methyl 2-hydroxy-4-methylpyrimidine-6-acetate
CID 131195581
Methyl 6-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxylate urea
CID 175666937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate (CID 102454339) is methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate is COC(=O)Cc1cc(CC(=O)OC)[nH]c(=O)n1.
What is the InChIKey of methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate?
The InChIKey is JEBKKQVHVJBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-16-8(13)4-6-3-7(5-9(14)17-2)12-10(15)11-6/h3H,4-5H2,1-2H3,(H,11,12,15).
What are the key properties of methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate?
methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate has a molecular weight of 240.21 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate is sourced from PubChem (CID 102454339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).