2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid

C10H14N2O5 — CID 54053373

IUPAC2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid
SMILESCCn1c(O)c(CC(=O)O)c(=O)n(CC)c1=O
InChIInChI=1S/C10H14N2O5/c1-3-11-8(15)6(5-7(13)14)9(16)12(4-2)10(11)17/h15H,3-5H2,1-2H3,(H,13,14)
InChIKeyLUMXICULGXFCPV-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.62
Rot. Bonds4

About 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid

2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid (PubChem CID 54053373) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid
PubChem CID54053373
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid
SMILESCCn1c(O)c(CC(=O)O)c(=O)n(CC)c1=O
InChIInChI=1S/C10H14N2O5/c1-3-11-8(15)6(5-7(13)14)9(16)12(4-2)10(11)17/h15H,3-5H2,1-2H3,(H,13,14)
InChIKeyLUMXICULGXFCPV-UHFFFAOYSA-N
XLogP-0.62
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid (CID 54053373) is 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid is CCn1c(O)c(CC(=O)O)c(=O)n(CC)c1=O.
What is the InChIKey of 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid?
The InChIKey is LUMXICULGXFCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-3-11-8(15)6(5-7(13)14)9(16)12(4-2)10(11)17/h15H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid?
2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid has a molecular weight of 242.23 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 54053373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).