1-hydroxy-2H-pyrimidine-5-carboxylic acid

C5H6N2O3 — CID 175875272

IUPAC1-hydroxy-2H-pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=CN(O)CN=C1
InChIInChI=1S/C5H6N2O3/c8-5(9)4-1-6-3-7(10)2-4/h1-2,10H,3H2,(H,8,9)
InChIKeyBTVQDVXKYXGAFY-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.31
Rot. Bonds1

About 1-hydroxy-2H-pyrimidine-5-carboxylic acid

1-hydroxy-2H-pyrimidine-5-carboxylic acid (PubChem CID 175875272) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1-hydroxy-2H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2H-pyrimidine-5-carboxylic acid
PubChem CID175875272
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name1-hydroxy-2H-pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=CN(O)CN=C1
InChIInChI=1S/C5H6N2O3/c8-5(9)4-1-6-3-7(10)2-4/h1-2,10H,3H2,(H,8,9)
InChIKeyBTVQDVXKYXGAFY-UHFFFAOYSA-N
XLogP-0.31
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2H-pyrimidine-5-carboxylic acid?
The IUPAC name of 1-hydroxy-2H-pyrimidine-5-carboxylic acid (CID 175875272) is 1-hydroxy-2H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 1-hydroxy-2H-pyrimidine-5-carboxylic acid is O=C(O)C1=CN(O)CN=C1.
What is the InChIKey of 1-hydroxy-2H-pyrimidine-5-carboxylic acid?
The InChIKey is BTVQDVXKYXGAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-5(9)4-1-6-3-7(10)2-4/h1-2,10H,3H2,(H,8,9).
What are the key properties of 1-hydroxy-2H-pyrimidine-5-carboxylic acid?
1-hydroxy-2H-pyrimidine-5-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 175875272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).