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

C13H20N2O4 — CID 113478079

IUPAC2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCOC(C)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C13H20N2O4/c1-5-19-8(2)7-15-10(4)11(6-12(16)17)9(3)14-13(15)18/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyBTMNYRWWVVDYGR-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.91
Rot. Bonds6

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

2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 113478079) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID113478079
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCOC(C)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C13H20N2O4/c1-5-19-8(2)7-15-10(4)11(6-12(16)17)9(3)14-13(15)18/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyBTMNYRWWVVDYGR-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 113478079) is 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is CCOC(C)Cn1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is BTMNYRWWVVDYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-5-19-8(2)7-15-10(4)11(6-12(16)17)9(3)14-13(15)18/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 113478079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).