5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine

C10H12BrN5O — CID 106997926

IUPAC5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NC(C)c2ncc[nH]2)ncc1Br
InChIInChI=1S/C10H12BrN5O/c1-6(8-12-3-4-13-8)15-10-14-5-7(11)9(16-10)17-2/h3-6H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyRJEWKJKCJJJTKK-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.14
Rot. Bonds4

About 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine

5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine (PubChem CID 106997926) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
PubChem CID106997926
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NC(C)c2ncc[nH]2)ncc1Br
InChIInChI=1S/C10H12BrN5O/c1-6(8-12-3-4-13-8)15-10-14-5-7(11)9(16-10)17-2/h3-6H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyRJEWKJKCJJJTKK-UHFFFAOYSA-N
XLogP2.14
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
CID 106997925
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 106997790
5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 103745877
4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 106196599
(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940
4-[1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]ethyl]benzonitrile
CID 103745818
N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 106504285
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide
CID 106997888
6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 106196615
5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
CID 106999864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine (CID 106997926) is 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine is COc1nc(NC(C)c2ncc[nH]2)ncc1Br.
What is the InChIKey of 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
The InChIKey is RJEWKJKCJJJTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-6(8-12-3-4-13-8)15-10-14-5-7(11)9(16-10)17-2/h3-6H,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine has a molecular weight of 298.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106997926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).