4-amino-2-oxopyrimidine-1-carboxylic acid

C5H5N3O3 — CID 21295150

IUPAC4-amino-2-oxopyrimidine-1-carboxylic acid
SMILESNc1ccn(C(=O)O)c(=O)n1
InChIInChI=1S/C5H5N3O3/c6-3-1-2-8(5(10)11)4(9)7-3/h1-2H,(H,10,11)(H2,6,7,9)
InChIKeyGMEZRZGSZNSSTQ-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.65
Rot. Bonds

About 4-amino-2-oxopyrimidine-1-carboxylic acid

4-amino-2-oxopyrimidine-1-carboxylic acid (PubChem CID 21295150) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-amino-2-oxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-oxopyrimidine-1-carboxylic acid
PubChem CID21295150
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4-amino-2-oxopyrimidine-1-carboxylic acid
SMILESNc1ccn(C(=O)O)c(=O)n1
InChIInChI=1S/C5H5N3O3/c6-3-1-2-8(5(10)11)4(9)7-3/h1-2H,(H,10,11)(H2,6,7,9)
InChIKeyGMEZRZGSZNSSTQ-UHFFFAOYSA-N
XLogP-0.65
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Vinylcytosine
CID 5259967
Hydroxymethylcytosine
CID 21989274
Formylcytosine
CID 57449274
Carboxy-methyl cytosine
CID 67634031
Cytosine-formamide
CID 129865441
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid
CID 123217178
4-Amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate
CID 22155153
4-Amino-1-(dihydroxymethyl)pyrimidin-2-one
CID 70662748
5-Amino-1,4-diazepine-1-carboxylic acid
CID 91322754
4-Amino-1-methylpyrimidin-2-one;hydrate
CID 141401858
2(1H)-Pyrimidinone, 4-amino-1-(1,2-propadienyl)-
CID 15473765

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxopyrimidine-1-carboxylic acid?
The IUPAC name of 4-amino-2-oxopyrimidine-1-carboxylic acid (CID 21295150) is 4-amino-2-oxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-2-oxopyrimidine-1-carboxylic acid?
The canonical SMILES for 4-amino-2-oxopyrimidine-1-carboxylic acid is Nc1ccn(C(=O)O)c(=O)n1.
What is the InChIKey of 4-amino-2-oxopyrimidine-1-carboxylic acid?
The InChIKey is GMEZRZGSZNSSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-3-1-2-8(5(10)11)4(9)7-3/h1-2H,(H,10,11)(H2,6,7,9).
What are the key properties of 4-amino-2-oxopyrimidine-1-carboxylic acid?
4-amino-2-oxopyrimidine-1-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 21295150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).