N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine

C8H13N3O3 — CID 82658243

IUPACN-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine
SMILESCOc1ncc(OC)c(CN(C)O)n1
InChIInChI=1S/C8H13N3O3/c1-11(12)5-6-7(13-2)4-9-8(10-6)14-3/h4,12H,5H2,1-3H3
InChIKeyUEMVXIUEDFIALU-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.31
Rot. Bonds4

About N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine

N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine (PubChem CID 82658243) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine
PubChem CID82658243
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine
SMILESCOc1ncc(OC)c(CN(C)O)n1
InChIInChI=1S/C8H13N3O3/c1-11(12)5-6-7(13-2)4-9-8(10-6)14-3/h4,12H,5H2,1-3H3
InChIKeyUEMVXIUEDFIALU-UHFFFAOYSA-N
XLogP0.31
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine (CID 82658243) is N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine is COc1ncc(OC)c(CN(C)O)n1.
What is the InChIKey of N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine?
The InChIKey is UEMVXIUEDFIALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11(12)5-6-7(13-2)4-9-8(10-6)14-3/h4,12H,5H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine?
N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine has a molecular weight of 199.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxypyrimidin-4-yl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 82658243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).