2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H14N2O4 — CID 116728174

IUPAC2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H14N2O4/c1-2-17-8(6-3-4-6)9-12-5-7(11(15)16)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyOJBKBZZKEIGDSH-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.96
Rot. Bonds5

About 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116728174) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116728174
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H14N2O4/c1-2-17-8(6-3-4-6)9-12-5-7(11(15)16)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyOJBKBZZKEIGDSH-UHFFFAOYSA-N
XLogP0.96
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-2-methoxymethyl-pyrimidine-5-carboxylic acid
CID 62020376
2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 89471214
6-Oxo-2-(propoxymethyl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 62021111
2-(1-Ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 64533216
6-Oxo-2-(oxolan-2-yl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 65328604
2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65351968
2-(2-Methylcyclopropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 65421524
2-(Ethoxymethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 65668080
2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 79089533
2-(1-Methoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 79617212
2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 79668739
2-(2-Methyloxolan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 80174443

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116728174) is 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is OJBKBZZKEIGDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-8(6-3-4-6)9-12-5-7(11(15)16)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).