5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine

C9H10BrN5O — CID 106997790

IUPAC5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2ncc[nH]2)ncc1Br
InChIInChI=1S/C9H10BrN5O/c1-16-8-6(10)4-13-9(15-8)14-5-7-11-2-3-12-7/h2-4H,5H2,1H3,(H,11,12)(H,13,14,15)
InChIKeyXZGIDYXWIIPLCA-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.58
Rot. Bonds4

About 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine (PubChem CID 106997790) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
PubChem CID106997790
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2ncc[nH]2)ncc1Br
InChIInChI=1S/C9H10BrN5O/c1-16-8-6(10)4-13-9(15-8)14-5-7-11-2-3-12-7/h2-4H,5H2,1H3,(H,11,12)(H,13,14,15)
InChIKeyXZGIDYXWIIPLCA-UHFFFAOYSA-N
XLogP1.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine
CID 114600639
5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
CID 106997925
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylpyridin-2-amine
CID 83335226
N-(1H-imidazol-2-ylmethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327904
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
CID 103746007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine (CID 106997790) is 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine is COc1nc(NCc2ncc[nH]2)ncc1Br.
What is the InChIKey of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is XZGIDYXWIIPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-16-8-6(10)4-13-9(15-8)14-5-7-11-2-3-12-7/h2-4H,5H2,1H3,(H,11,12)(H,13,14,15).
What are the key properties of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 284.12 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106997790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).