2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid

C6H7N3O5S — CID 174724908

IUPAC2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid
SMILESCN(OS(=O)O)c1ncc(C(=O)O)cn1
InChIInChI=1S/C6H7N3O5S/c1-9(14-15(12)13)6-7-2-4(3-8-6)5(10)11/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyYQECVPPMLYIDJC-UHFFFAOYSA-N
MW233.20 g/mol
LogP-0.32
Rot. Bonds4

About 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid

2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid (PubChem CID 174724908) has the molecular formula C6H7N3O5S and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid
PubChem CID174724908
Molecular FormulaC6H7N3O5S
Molecular Weight233.20 g/mol
Exact Mass233.01
IUPAC Name2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid
SMILESCN(OS(=O)O)c1ncc(C(=O)O)cn1
InChIInChI=1S/C6H7N3O5S/c1-9(14-15(12)13)6-7-2-4(3-8-6)5(10)11/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyYQECVPPMLYIDJC-UHFFFAOYSA-N
XLogP-0.32
TPSA112.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid (CID 174724908) is 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid is CN(OS(=O)O)c1ncc(C(=O)O)cn1.
What is the InChIKey of 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid?
The InChIKey is YQECVPPMLYIDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O5S/c1-9(14-15(12)13)6-7-2-4(3-8-6)5(10)11/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid?
2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 174724908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).