4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid

C8H7N3O3 — CID 175609272

IUPAC4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid
SMILESCC#Cc1cn(C(=O)O)c(=O)nc1N
InChIInChI=1S/C8H7N3O3/c1-2-3-5-4-11(8(13)14)7(12)10-6(5)9/h4H,1H3,(H,13,14)(H2,9,10,12)
InChIKeyQFJFKWLWSDPPPI-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.28
Rot. Bonds

About 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid

4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid (PubChem CID 175609272) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid
PubChem CID175609272
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid
SMILESCC#Cc1cn(C(=O)O)c(=O)nc1N
InChIInChI=1S/C8H7N3O3/c1-2-3-5-4-11(8(13)14)7(12)10-6(5)9/h4H,1H3,(H,13,14)(H2,9,10,12)
InChIKeyQFJFKWLWSDPPPI-UHFFFAOYSA-N
XLogP-0.28
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid?
The IUPAC name of 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid (CID 175609272) is 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid?
The canonical SMILES for 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid is CC#Cc1cn(C(=O)O)c(=O)nc1N.
What is the InChIKey of 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid?
The InChIKey is QFJFKWLWSDPPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-2-3-5-4-11(8(13)14)7(12)10-6(5)9/h4H,1H3,(H,13,14)(H2,9,10,12).
What are the key properties of 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid?
4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-5-prop-1-ynylpyrimidine-1-carboxylic acid is sourced from PubChem (CID 175609272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).