2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C15H22N2O4 — CID 116775155

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H22N2O4/c1-4-21-15(7-5-14(2,3)6-8-15)13-16-9-10(12(19)20)11(18)17-13/h9H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyAJZDWICUPDBIMU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.30
Rot. Bonds4

About 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116775155) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116775155
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H22N2O4/c1-4-21-15(7-5-14(2,3)6-8-15)13-16-9-10(12(19)20)11(18)17-13/h9H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyAJZDWICUPDBIMU-UHFFFAOYSA-N
XLogP2.30
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.30
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-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 104611629
2-(1-methoxy-4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 113562747
2-(4-methoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 113562748
5-(hydroxymethyl)-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114204913
methyl 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 114213688
2-(1-methoxy-3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775142
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775143
2-[cyclohexyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775144
2-(3-ethoxypentan-3-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775145
2-(1-ethoxycycloheptyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775146
2-(1-ethoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775148

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116775155) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is AJZDWICUPDBIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-21-15(7-5-14(2,3)6-8-15)13-16-9-10(12(19)20)11(18)17-13/h9H,4-8H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).