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

C11H16N2O4 — CID 135973734

IUPAC2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid
SMILESCCCOCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-4-17-6-9-12-7(2)8(5-10(14)15)11(16)13-9/h3-6H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyARZPLQKVFLXKLY-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.63
Rot. Bonds6

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

2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid (PubChem CID 135973734) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid
PubChem CID135973734
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid
SMILESCCCOCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-4-17-6-9-12-7(2)8(5-10(14)15)11(16)13-9/h3-6H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyARZPLQKVFLXKLY-UHFFFAOYSA-N
XLogP0.63
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid (CID 135973734) is 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid is CCCOCc1nc(C)c(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is ARZPLQKVFLXKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-4-17-6-9-12-7(2)8(5-10(14)15)11(16)13-9/h3-6H2,1-2H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 135973734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).