2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

C14H20N2O4 — CID 116775144

IUPAC2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H20N2O4/c1-2-20-11(9-6-4-3-5-7-9)12-15-8-10(14(18)19)13(17)16-12/h8-9,11H,2-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyDVLJALXDOVGVML-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.13
Rot. Bonds5

About 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116775144) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116775144
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H20N2O4/c1-2-20-11(9-6-4-3-5-7-9)12-15-8-10(14(18)19)13(17)16-12/h8-9,11H,2-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyDVLJALXDOVGVML-UHFFFAOYSA-N
XLogP2.13
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 64188673
2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 80681715
2-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 104252648
2-(1-methoxy-4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 113562747
2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204934
methyl 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 114213688
2-[Cyclopropyl(methoxy)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728169
2-(1-ethoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116728170
2-(1-Methoxybutyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728172
2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116728174
2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116728175
2-(1-methoxy-3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775142

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116775144) is 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is DVLJALXDOVGVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-20-11(9-6-4-3-5-7-9)12-15-8-10(14(18)19)13(17)16-12/h8-9,11H,2-7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).