2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid

C15H22N2O5 — CID 10086707

IUPAC2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid
SMILESCOC(Cn1c(C2CCCCC2)ncc(C(=O)O)c1=O)OC
InChIInChI=1S/C15H22N2O5/c1-21-12(22-2)9-17-13(10-6-4-3-5-7-10)16-8-11(14(17)18)15(19)20/h8,10,12H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyYFFWACDOBFNORI-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.61
Rot. Bonds6

About 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid

2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid (PubChem CID 10086707) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid
PubChem CID10086707
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid
SMILESCOC(Cn1c(C2CCCCC2)ncc(C(=O)O)c1=O)OC
InChIInChI=1S/C15H22N2O5/c1-21-12(22-2)9-17-13(10-6-4-3-5-7-10)16-8-11(14(17)18)15(19)20/h8,10,12H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyYFFWACDOBFNORI-UHFFFAOYSA-N
XLogP1.61
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid (CID 10086707) is 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid is COC(Cn1c(C2CCCCC2)ncc(C(=O)O)c1=O)OC.
What is the InChIKey of 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
The InChIKey is YFFWACDOBFNORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-21-12(22-2)9-17-13(10-6-4-3-5-7-10)16-8-11(14(17)18)15(19)20/h8,10,12H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid?
2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 10086707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).