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

C10H14N2O4 — CID 79367407

IUPAC4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid
SMILESCOc1nc(C)cc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-7-6-8(13)12(10(11-7)16-2)5-3-4-9(14)15/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyMWPCYKMGVOWWGK-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.43
Rot. Bonds5

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

4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid (PubChem CID 79367407) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid
PubChem CID79367407
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid
SMILESCOc1nc(C)cc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-7-6-8(13)12(10(11-7)16-2)5-3-4-9(14)15/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyMWPCYKMGVOWWGK-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid?
The IUPAC name of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid (CID 79367407) is 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid is COc1nc(C)cc(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid?
The InChIKey is MWPCYKMGVOWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-6-8(13)12(10(11-7)16-2)5-3-4-9(14)15/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid?
4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)butanoic acid is sourced from PubChem (CID 79367407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).