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

C11H14N2O4 — CID 104611629

IUPAC2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H14N2O4/c1-17-11(4-2-3-5-11)10-12-6-7(9(15)16)8(14)13-10/h6H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyXTFKELZAZDTBOX-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.88
Rot. Bonds3

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

2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 104611629) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID104611629
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H14N2O4/c1-17-11(4-2-3-5-11)10-12-6-7(9(15)16)8(14)13-10/h6H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyXTFKELZAZDTBOX-UHFFFAOYSA-N
XLogP0.88
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methoxypropan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 79198178
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-(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
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-[Cyclopropyl(methoxy)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728169
2-(1-Methoxybutyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728172
2-(2-Ethoxypropan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728173
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-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 104611629) is 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COC1(c2ncc(C(=O)O)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is XTFKELZAZDTBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-11(4-2-3-5-11)10-12-6-7(9(15)16)8(14)13-10/h6H,2-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 104611629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).