2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

C11H14N2O5 — CID 43327741

IUPAC2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCOC(=O)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C11H14N2O5/c1-6-8(4-9(14)15)7(2)13(11(17)12-6)5-10(16)18-3/h4-5H2,1-3H3,(H,14,15)
InChIKeyYAAIAJHXLMBOIW-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.34
Rot. Bonds4

About 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43327741) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43327741
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCOC(=O)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C11H14N2O5/c1-6-8(4-9(14)15)7(2)13(11(17)12-6)5-10(16)18-3/h4-5H2,1-3H3,(H,14,15)
InChIKeyYAAIAJHXLMBOIW-UHFFFAOYSA-N
XLogP-0.34
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]acetic acid
CID 63828817
2-[1-[2-(2,2-Difluoroethoxy)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 105918887
2-[1-[2-(2,2-Difluoroethoxy)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 105918892
2-(1,4,6-Trimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43112140
2-[1-(2-Amino-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145171
2-[1-[2-(Dimethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145177
2-(4,6-Dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid
CID 43145179
2-(1-Butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145181
2-(1-Butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145192
2-(1-Ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145199
2-[4,6-Dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid
CID 43145203
2-(4,6-Dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid
CID 43145204

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43327741) is 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is COC(=O)Cn1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is YAAIAJHXLMBOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6-8(4-9(14)15)7(2)13(11(17)12-6)5-10(16)18-3/h4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 254.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-2-oxoethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43327741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).