3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid

C14H22N2O3 — CID 65293615

IUPAC3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOCCCc1nc(C)c(CC(C)C(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O3/c1-9(14(17)18)8-12-10(2)15-13(16-11(12)3)6-5-7-19-4/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyMOMJTHQSXHJAFQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.94
Rot. Bonds7

About 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid

3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid (PubChem CID 65293615) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
PubChem CID65293615
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOCCCc1nc(C)c(CC(C)C(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O3/c1-9(14(17)18)8-12-10(2)15-13(16-11(12)3)6-5-7-19-4/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyMOMJTHQSXHJAFQ-UHFFFAOYSA-N
XLogP1.94
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid (CID 65293615) is 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid is COCCCc1nc(C)c(CC(C)C(=O)O)c(C)n1.
What is the InChIKey of 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
The InChIKey is MOMJTHQSXHJAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(14(17)18)8-12-10(2)15-13(16-11(12)3)6-5-7-19-4/h9H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 65293615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).