2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid

C19H32N2O5 — CID 91442820

IUPAC2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(Cn1c(O)cc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-15(18(24)25)14-21-17(23)13-16(22)20-19(21)26/h13,15,23H,2-12,14H2,1H3,(H,24,25)(H,20,22,26)
InChIKeyXDLJINNNLJFPDM-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.25
Rot. Bonds14

About 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid

2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid (PubChem CID 91442820) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid.

Molecular Properties

Compound Name2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid
PubChem CID91442820
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(Cn1c(O)cc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-15(18(24)25)14-21-17(23)13-16(22)20-19(21)26/h13,15,23H,2-12,14H2,1H3,(H,24,25)(H,20,22,26)
InChIKeyXDLJINNNLJFPDM-UHFFFAOYSA-N
XLogP3.25
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.25
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

2-(6-Hydroxy-2,4-dioxopyrimidin-1-yl)pentadecanoic acid
CID 91189242
7-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]heptanoic acid
CID 132286752

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid?
The IUPAC name of 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid (CID 91442820) is 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid.
What is the SMILES notation for 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid?
The canonical SMILES for 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid is CCCCCCCCCCCCC(Cn1c(O)cc(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid?
The InChIKey is XDLJINNNLJFPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-15(18(24)25)14-21-17(23)13-16(22)20-19(21)26/h13,15,23H,2-12,14H2,1H3,(H,24,25)(H,20,22,26).
What are the key properties of 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid?
2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid has a molecular weight of 368.47 g/mol, XLogP of 3.25, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-2,4-dioxopyrimidin-1-yl)methyl]tetradecanoic acid is sourced from PubChem (CID 91442820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).