N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine

C8H13N3O2 — CID 82601677

IUPACN-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine
SMILESCOc1nc(C)cc(CN(C)O)n1
InChIInChI=1S/C8H13N3O2/c1-6-4-7(5-11(2)12)10-8(9-6)13-3/h4,12H,5H2,1-3H3
InChIKeyACTHHKCDGKVQMV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.61
Rot. Bonds3

About N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine

N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine (PubChem CID 82601677) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine
PubChem CID82601677
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine
SMILESCOc1nc(C)cc(CN(C)O)n1
InChIInChI=1S/C8H13N3O2/c1-6-4-7(5-11(2)12)10-8(9-6)13-3/h4,12H,5H2,1-3H3
InChIKeyACTHHKCDGKVQMV-UHFFFAOYSA-N
XLogP0.61
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine (CID 82601677) is N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine is COc1nc(C)cc(CN(C)O)n1.
What is the InChIKey of N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine?
The InChIKey is ACTHHKCDGKVQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-4-7(5-11(2)12)10-8(9-6)13-3/h4,12H,5H2,1-3H3.
What are the key properties of N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine?
N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine has a molecular weight of 183.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 82601677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).