6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid

C10H14N2O5 — CID 54020445

IUPAC6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c13-7-6-8(14)12(10(17)11-7)5-3-1-2-4-9(15)16/h6,14H,1-5H2,(H,15,16)(H,11,13,17)
InChIKeyKYOCGXQDPKMNFO-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.11
Rot. Bonds6

About 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid

6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid (PubChem CID 54020445) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid
PubChem CID54020445
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c13-7-6-8(14)12(10(17)11-7)5-3-1-2-4-9(15)16/h6,14H,1-5H2,(H,15,16)(H,11,13,17)
InChIKeyKYOCGXQDPKMNFO-UHFFFAOYSA-N
XLogP-0.11
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanoic acid
CID 256688
6-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid
CID 12849074
6-(5-Methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 65563145
6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 64298614
6-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]hexanoic acid
CID 13337058
4-(6-Hydroxy-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53642790
6-(2,4-Dioxopyrimidin-1-yl)hexanoic acid
CID 54359205
8-(2,4-Dioxopyrimidin-1-yl)octanoic acid
CID 57910537
2-(2,4-Dioxopyrimidin-1-yl)hexanoic acid
CID 70400742
6-(2,4-dioxo-1H-pyrimidin-3-yl)hexanoic acid
CID 70400743
6-(6-Hydroxy-4-oxo-2-sulfanylidenepyrimidin-1-yl)hexanoic acid
CID 91113896
1-(6-Hydroxyhexanoyl)pyrimidine-2,4-dione
CID 168070780

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid (CID 54020445) is 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid is O=C(O)CCCCCn1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid?
The InChIKey is KYOCGXQDPKMNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-7-6-8(14)12(10(17)11-7)5-3-1-2-4-9(15)16/h6,14H,1-5H2,(H,15,16)(H,11,13,17).
What are the key properties of 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid?
6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 54020445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).