2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid

C5H7N3O3 — CID 22352165

IUPAC2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid
SMILESNC1(C(=O)O)NC=CC(=O)N1
InChIInChI=1S/C5H7N3O3/c6-5(4(10)11)7-2-1-3(9)8-5/h1-2,7H,6H2,(H,8,9)(H,10,11)
InChIKeyXNESCROJRQXYQM-UHFFFAOYSA-N
MW157.13 g/mol
LogP-2.08
Rot. Bonds1

About 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid

2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid (PubChem CID 22352165) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid
PubChem CID22352165
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid
SMILESNC1(C(=O)O)NC=CC(=O)N1
InChIInChI=1S/C5H7N3O3/c6-5(4(10)11)7-2-1-3(9)8-5/h1-2,7H,6H2,(H,8,9)(H,10,11)
InChIKeyXNESCROJRQXYQM-UHFFFAOYSA-N
XLogP-2.08
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid?
The IUPAC name of 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid (CID 22352165) is 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid.
What is the SMILES notation for 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid?
The canonical SMILES for 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid is NC1(C(=O)O)NC=CC(=O)N1.
What is the InChIKey of 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid?
The InChIKey is XNESCROJRQXYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-5(4(10)11)7-2-1-3(9)8-5/h1-2,7H,6H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid?
2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid has a molecular weight of 157.13 g/mol, XLogP of -2.08, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-1,3-dihydropyrimidine-2-carboxylic acid is sourced from PubChem (CID 22352165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).