2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid

C11H16N2O4 — CID 135995655

IUPAC2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCCOC(C)c1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-4-17-7(3)10-12-6(2)8(5-9(14)15)11(16)13-10/h7H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyQSNFQORNCIWMME-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.80
Rot. Bonds5

About 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid

2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 135995655) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID135995655
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCCOC(C)c1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-4-17-7(3)10-12-6(2)8(5-9(14)15)11(16)13-10/h7H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyQSNFQORNCIWMME-UHFFFAOYSA-N
XLogP0.80
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid (CID 135995655) is 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid is CCOC(C)c1nc(C)c(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is QSNFQORNCIWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-17-7(3)10-12-6(2)8(5-9(14)15)11(16)13-10/h7H,4-5H2,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 135995655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).