pyrimidine-2-carboxylic acid

C5H4N2O2 — CID 12626245

IUPACpyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncccn1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9)
InChIKeyZFCHNZDUMIOWFV-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.17
Rot. Bonds1

About pyrimidine-2-carboxylic acid

pyrimidine-2-carboxylic acid (PubChem CID 12626245) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Namepyrimidine-2-carboxylic acid
PubChem CID12626245
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Namepyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncccn1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9)
InChIKeyZFCHNZDUMIOWFV-UHFFFAOYSA-N
XLogP0.17
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-2-carboxylic acid?
The IUPAC name of pyrimidine-2-carboxylic acid (CID 12626245) is pyrimidine-2-carboxylic acid.
What is the SMILES notation for pyrimidine-2-carboxylic acid?
The canonical SMILES for pyrimidine-2-carboxylic acid is O=C(O)c1ncccn1.
What is the InChIKey of pyrimidine-2-carboxylic acid?
The InChIKey is ZFCHNZDUMIOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9).
What are the key properties of pyrimidine-2-carboxylic acid?
pyrimidine-2-carboxylic acid has a molecular weight of 124.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2-carboxylic acid is sourced from PubChem (CID 12626245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).