2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C12H16N2O5 — CID 116775149

IUPAC2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C12H16N2O5/c1-2-19-12(3-5-18-6-4-12)11-13-7-8(10(16)17)9(15)14-11/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyYPFPTILQHJRYAJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116775149) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116775149
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C12H16N2O5/c1-2-19-12(3-5-18-6-4-12)11-13-7-8(10(16)17)9(15)14-11/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyYPFPTILQHJRYAJ-UHFFFAOYSA-N
XLogP0.51
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Methoxypropan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 79198178
2-(Oxan-4-YL)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 65334352
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
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
2-(4-ethoxyoxan-4-yl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204905
5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 114204919
methyl 2-(3-ethoxypentan-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 114213685
2-(1-Methoxycyclobutyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 116728168

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116775149) is 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is YPFPTILQHJRYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-19-12(3-5-18-6-4-12)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-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).