2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid

C10H14N2O4 — CID 83852487

IUPAC2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
SMILESCOc1cc(CC(=O)O)n(C(C)C)c(=O)n1
InChIInChI=1S/C10H14N2O4/c1-6(2)12-7(5-9(13)14)4-8(16-3)11-10(12)15/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyGIMBMZWBBWLTRR-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.46
Rot. Bonds4

About 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid

2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid (PubChem CID 83852487) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
PubChem CID83852487
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
SMILESCOc1cc(CC(=O)O)n(C(C)C)c(=O)n1
InChIInChI=1S/C10H14N2O4/c1-6(2)12-7(5-9(13)14)4-8(16-3)11-10(12)15/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyGIMBMZWBBWLTRR-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid (CID 83852487) is 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid is COc1cc(CC(=O)O)n(C(C)C)c(=O)n1.
What is the InChIKey of 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid?
The InChIKey is GIMBMZWBBWLTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(2)12-7(5-9(13)14)4-8(16-3)11-10(12)15/h4,6H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid?
2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid has a molecular weight of 226.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).