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

C11H16N2O4 — CID 116728175

IUPAC2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCCC(OCC)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-5-8(17-4-2)9-12-6-7(11(15)16)10(14)13-9/h6,8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyQTAMZGOVBXDVMW-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.35
Rot. Bonds6

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

2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116728175) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116728175
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCCC(OCC)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-5-8(17-4-2)9-12-6-7(11(15)16)10(14)13-9/h6,8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyQTAMZGOVBXDVMW-UHFFFAOYSA-N
XLogP1.35
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.35
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
4-Hydroxy-2-methoxymethyl-pyrimidine-5-carboxylic acid
CID 62020376
2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 89471214
ethyl 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 89471593
2-(2-Methoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 30031665
6-Oxo-2-[(oxolan-2-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid
CID 62020919
6-Oxo-2-(propoxymethyl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 62021111
ethyl 6-oxo-2-(propoxymethyl)-1H-pyrimidine-5-carboxylate
CID 62022841
2-(1-Ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 64533216
ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 64533217
2-(3-Methoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 65092361
6-Oxo-2-(oxolan-2-yl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 65328604

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116728175) is 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCCC(OCC)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is QTAMZGOVBXDVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-5-8(17-4-2)9-12-6-7(11(15)16)10(14)13-9/h6,8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).