6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid

C8H8N2O3 — CID 39237230

IUPAC6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)[nH]c(=O)n1
InChIInChI=1S/C8H8N2O3/c11-7(12)6-3-5(4-1-2-4)9-8(13)10-6/h3-4H,1-2H2,(H,11,12)(H,9,10,13)
InChIKeyAMZTWSZKVONVRT-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.35
Rot. Bonds2

About 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid

6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 39237230) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID39237230
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)[nH]c(=O)n1
InChIInChI=1S/C8H8N2O3/c11-7(12)6-3-5(4-1-2-4)9-8(13)10-6/h3-4H,1-2H2,(H,11,12)(H,9,10,13)
InChIKeyAMZTWSZKVONVRT-UHFFFAOYSA-N
XLogP0.35
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid (CID 39237230) is 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1cc(C2CC2)[nH]c(=O)n1.
What is the InChIKey of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is AMZTWSZKVONVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7(12)6-3-5(4-1-2-4)9-8(13)10-6/h3-4H,1-2H2,(H,11,12)(H,9,10,13).
What are the key properties of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 39237230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).