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

C14H20N2O5 — CID 79219636

IUPAC2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCOC(=O)Cn1c(CC)c(CC(=O)O)c(CC)nc1=O
InChIInChI=1S/C14H20N2O5/c1-4-10-9(7-12(17)18)11(5-2)16(14(20)15-10)8-13(19)21-6-3/h4-8H2,1-3H3,(H,17,18)
InChIKeyBVNNTAHIFMSIBK-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.56
Rot. Bonds7

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

2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 79219636) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID79219636
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCOC(=O)Cn1c(CC)c(CC(=O)O)c(CC)nc1=O
InChIInChI=1S/C14H20N2O5/c1-4-10-9(7-12(17)18)11(5-2)16(14(20)15-10)8-13(19)21-6-3/h4-8H2,1-3H3,(H,17,18)
InChIKeyBVNNTAHIFMSIBK-UHFFFAOYSA-N
XLogP0.56
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79220141
2-[4,6-diethyl-1-(3-methylpentan-3-yl)-2-oxopyrimidin-5-yl]acetic acid
CID 106330579
2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 113433510
2-[4,6-diethyl-2-oxo-1-(1,3,4-thiadiazol-2-yl)pyrimidin-5-yl]acetic acid
CID 107649012
2-(3-carbamoyl-5,7-diethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 79219441
ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate
CID 79220548
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
2-[1-(2-cyanoethyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219937
2-[5-cyclopropyl-3-(difluoromethyl)-1-(2-ethoxy-2-oxoethyl)pyrazol-4-yl]acetic acid
CID 170886740
ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63799209
2-[1-[(4-aminophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid;2,2-dimethylcyclopropan-1-one
CID 144631431
2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79826609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid (CID 79219636) is 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid is CCOC(=O)Cn1c(CC)c(CC(=O)O)c(CC)nc1=O.
What is the InChIKey of 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is BVNNTAHIFMSIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-10-9(7-12(17)18)11(5-2)16(14(20)15-10)8-13(19)21-6-3/h4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79219636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).