6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid

C12H18N2O4 — CID 79367313

IUPAC6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid
SMILESCOc1nc(C)cc(=O)n1CCCCCC(=O)O
InChIInChI=1S/C12H18N2O4/c1-9-8-10(15)14(12(13-9)18-2)7-5-3-4-6-11(16)17/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyUXCVNNQBGWSGGQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.21
Rot. Bonds7

About 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid

6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid (PubChem CID 79367313) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid
PubChem CID79367313
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid
SMILESCOc1nc(C)cc(=O)n1CCCCCC(=O)O
InChIInChI=1S/C12H18N2O4/c1-9-8-10(15)14(12(13-9)18-2)7-5-3-4-6-11(16)17/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyUXCVNNQBGWSGGQ-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid (CID 79367313) is 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid is COc1nc(C)cc(=O)n1CCCCCC(=O)O.
What is the InChIKey of 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid?
The InChIKey is UXCVNNQBGWSGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-8-10(15)14(12(13-9)18-2)7-5-3-4-6-11(16)17/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid?
6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 79367313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).