6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid

C6H7N3O3 — CID 71303373

IUPAC6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid
SMILES[H]/N=C1/C(C(=O)O)C=NC(=O)N1C
InChIInChI=1S/C6H7N3O3/c1-9-4(7)3(5(10)11)2-8-6(9)12/h2-3,7H,1H3,(H,10,11)/b7-4-
InChIKeyOVVGSINSNFPKNO-DAXSKMNVSA-N
MW169.14 g/mol
LogP-0.20
Rot. Bonds1

About 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid

6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid (PubChem CID 71303373) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid
PubChem CID71303373
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid
SMILES[H]/N=C1/C(C(=O)O)C=NC(=O)N1C
InChIInChI=1S/C6H7N3O3/c1-9-4(7)3(5(10)11)2-8-6(9)12/h2-3,7H,1H3,(H,10,11)/b7-4-
InChIKeyOVVGSINSNFPKNO-DAXSKMNVSA-N
XLogP-0.20
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid (CID 71303373) is 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid is [H]/N=C1/C(C(=O)O)C=NC(=O)N1C.
What is the InChIKey of 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid?
The InChIKey is OVVGSINSNFPKNO-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-9-4(7)3(5(10)11)2-8-6(9)12/h2-3,7H,1H3,(H,10,11)/b7-4-.
What are the key properties of 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid?
6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-methyl-2-oxo-5H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 71303373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).