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

C13H18N2O4 — CID 116775152

IUPAC2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H18N2O4/c1-19-10(8-5-3-2-4-6-8)11-14-7-9(13(17)18)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyWJOAXTVDULSWLP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.74
Rot. Bonds4

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

2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116775152) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116775152
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H18N2O4/c1-19-10(8-5-3-2-4-6-8)11-14-7-9(13(17)18)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyWJOAXTVDULSWLP-UHFFFAOYSA-N
XLogP1.74
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728178
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(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116775152) is 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is COC(c1ncc(C(=O)O)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is WJOAXTVDULSWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-10(8-5-3-2-4-6-8)11-14-7-9(13(17)18)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).