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

C9H10N2O3 — CID 65421524

IUPAC2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC1CC1c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O3/c1-4-2-5(4)7-10-3-6(9(13)14)8(12)11-7/h3-5H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyHQCSVOLLAPUTQT-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.59
Rot. Bonds2

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

2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 65421524) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID65421524
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC1CC1c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O3/c1-4-2-5(4)7-10-3-6(9(13)14)8(12)11-7/h3-5H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyHQCSVOLLAPUTQT-UHFFFAOYSA-N
XLogP0.59
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 65421524) is 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CC1CC1c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is HQCSVOLLAPUTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-4-2-5(4)7-10-3-6(9(13)14)8(12)11-7/h3-5H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65421524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).