methyl 1-methyl-2H-pyrimidine-2-carboperoxoate

C7H10N2O3 — CID 174243114

IUPACmethyl 1-methyl-2H-pyrimidine-2-carboperoxoate
SMILESCOOC(=O)C1N=CC=CN1C
InChIInChI=1S/C7H10N2O3/c1-9-5-3-4-8-6(9)7(10)12-11-2/h3-6H,1-2H3
InChIKeyBKXQWTHIMXVFBT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.05
Rot. Bonds2

About methyl 1-methyl-2H-pyrimidine-2-carboperoxoate

methyl 1-methyl-2H-pyrimidine-2-carboperoxoate (PubChem CID 174243114) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 1-methyl-2H-pyrimidine-2-carboperoxoate.

Molecular Properties

Compound Namemethyl 1-methyl-2H-pyrimidine-2-carboperoxoate
PubChem CID174243114
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 1-methyl-2H-pyrimidine-2-carboperoxoate
SMILESCOOC(=O)C1N=CC=CN1C
InChIInChI=1S/C7H10N2O3/c1-9-5-3-4-8-6(9)7(10)12-11-2/h3-6H,1-2H3
InChIKeyBKXQWTHIMXVFBT-UHFFFAOYSA-N
XLogP-0.05
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2H-pyrimidine-2-carboperoxoate?
The IUPAC name of methyl 1-methyl-2H-pyrimidine-2-carboperoxoate (CID 174243114) is methyl 1-methyl-2H-pyrimidine-2-carboperoxoate.
What is the SMILES notation for methyl 1-methyl-2H-pyrimidine-2-carboperoxoate?
The canonical SMILES for methyl 1-methyl-2H-pyrimidine-2-carboperoxoate is COOC(=O)C1N=CC=CN1C.
What is the InChIKey of methyl 1-methyl-2H-pyrimidine-2-carboperoxoate?
The InChIKey is BKXQWTHIMXVFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-5-3-4-8-6(9)7(10)12-11-2/h3-6H,1-2H3.
What are the key properties of methyl 1-methyl-2H-pyrimidine-2-carboperoxoate?
methyl 1-methyl-2H-pyrimidine-2-carboperoxoate has a molecular weight of 170.17 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2H-pyrimidine-2-carboperoxoate is sourced from PubChem (CID 174243114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).