[1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine

C9H10BrN5O — CID 106999696

IUPAC[1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine
SMILESCOc1nc(-n2ccnc2CN)ncc1Br
InChIInChI=1S/C9H10BrN5O/c1-16-8-6(10)5-13-9(14-8)15-3-2-12-7(15)4-11/h2-3,5H,4,11H2,1H3
InChIKeyNJRYGLAJAKRDJN-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.89
Rot. Bonds3

About [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine

[1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine (PubChem CID 106999696) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine
PubChem CID106999696
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name[1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine
SMILESCOc1nc(-n2ccnc2CN)ncc1Br
InChIInChI=1S/C9H10BrN5O/c1-16-8-6(10)5-13-9(14-8)15-3-2-12-7(15)4-11/h2-3,5H,4,11H2,1H3
InChIKeyNJRYGLAJAKRDJN-UHFFFAOYSA-N
XLogP0.89
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine?
The IUPAC name of [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine (CID 106999696) is [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine?
The canonical SMILES for [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine is COc1nc(-n2ccnc2CN)ncc1Br.
What is the InChIKey of [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine?
The InChIKey is NJRYGLAJAKRDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-16-8-6(10)5-13-9(14-8)15-3-2-12-7(15)4-11/h2-3,5H,4,11H2,1H3.
What are the key properties of [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine?
[1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine has a molecular weight of 284.12 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methoxypyrimidin-2-yl)imidazol-2-yl]methanamine is sourced from PubChem (CID 106999696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).