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

C10H12N2O4 — CID 116728169

IUPAC2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H12N2O4/c1-16-7(5-2-3-5)8-11-4-6(10(14)15)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyJDHIQZPNCBOFLE-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.57
Rot. Bonds4

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

2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116728169) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116728169
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(c1ncc(C(=O)O)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H12N2O4/c1-16-7(5-2-3-5)8-11-4-6(10(14)15)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyJDHIQZPNCBOFLE-UHFFFAOYSA-N
XLogP0.57
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116728169) is 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is COC(c1ncc(C(=O)O)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is JDHIQZPNCBOFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-7(5-2-3-5)8-11-4-6(10(14)15)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).