Pyrimidine, 4-(1H-imidazol-1-yl)-6-methoxy-

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Basic information

CAS: 114834-06-9
Standard SMILES: COc1cc(-n2ccnc2)ncn1
InChIKey: JZJJPJWXORKLGK-UHFFFAOYSA-N
Molecular formula: C8H8N4O
Average molar mass: 176.18 g/mol
Monoisotopic mass: 176.06981089

Names & identifiers

Preferred name: Pyrimidine, 4-(1H-imidazol-1-yl)-6-methoxy-
IUPAC: 4-imidazol-1-yl-6-methoxypyrimidine

Names & synonyms

4-(1H-Imidazol-1-yl)-6-methoxypyrimidinePyrimidine, 4-(1H-imidazol-1-yl)-6-methoxy-114834-06-9DTXSID00150877RefChem:377615DTXCID6073368SCHEMBL9521253JZJJPJWXORKLGK-UHFFFAOYSA-N4-(1-imidazolyl)-6-methoxypyrimidine

Database identifiers

CAS: 114834-06-9
PubChem CID: 3087488
DTXSID: DTXSID00150877

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 52.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 166

Related reactions

2 records

New reaction record

HRID 231800As productuspto-grants-1989_07

HRID 680838As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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