2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C12H16N2O4 — CID 116775151

IUPAC2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H16N2O4/c1-18-12(5-3-2-4-6-12)11-13-7-8(10(16)17)9(15)14-11/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyFBOFPQRMGKFYQK-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.27
Rot. Bonds3

About 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116775151) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116775151
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H16N2O4/c1-18-12(5-3-2-4-6-12)11-13-7-8(10(16)17)9(15)14-11/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyFBOFPQRMGKFYQK-UHFFFAOYSA-N
XLogP1.27
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyloxolan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 80174443
2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 80681715
ethyl 2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 80681798
2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 104611629
ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 113432883
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-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114204901
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-Methoxycyclobutyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728168
2-(1-methoxy-3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775142

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116775151) is 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COC1(c2ncc(C(=O)O)c(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is FBOFPQRMGKFYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-12(5-3-2-4-6-12)11-13-7-8(10(16)17)9(15)14-11/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).