2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid

C8H10N2O4 — CID 83852077

IUPAC2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid
SMILESCOc1cc(CC(=O)O)n(C)c(=O)n1
InChIInChI=1S/C8H10N2O4/c1-10-5(4-7(11)12)3-6(14-2)9-8(10)13/h3H,4H2,1-2H3,(H,11,12)
InChIKeyWFMZWNCTWLVPIS-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.58
Rot. Bonds3

About 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid

2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852077) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852077
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid
SMILESCOc1cc(CC(=O)O)n(C)c(=O)n1
InChIInChI=1S/C8H10N2O4/c1-10-5(4-7(11)12)3-6(14-2)9-8(10)13/h3H,4H2,1-2H3,(H,11,12)
InChIKeyWFMZWNCTWLVPIS-UHFFFAOYSA-N
XLogP-0.58
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852077) is 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid is COc1cc(CC(=O)O)n(C)c(=O)n1.
What is the InChIKey of 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is WFMZWNCTWLVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-10-5(4-7(11)12)3-6(14-2)9-8(10)13/h3H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-methyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).