6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine

C10H12BrN5 — CID 106196615

IUPAC6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NC(C)c2ncc[nH]2)n1
InChIInChI=1S/C10H12BrN5/c1-6(10-12-3-4-13-10)14-9-5-8(11)15-7(2)16-9/h3-6H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyOFGCCZBUWXZGKO-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.44
Rot. Bonds3

About 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine

6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 106196615) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID106196615
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NC(C)c2ncc[nH]2)n1
InChIInChI=1S/C10H12BrN5/c1-6(10-12-3-4-13-10)14-9-5-8(11)15-7(2)16-9/h3-6H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyOFGCCZBUWXZGKO-UHFFFAOYSA-N
XLogP2.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-imidazol-2-yl)ethyl]-6-methyl-2-pyridin-4-ylpyrimidin-4-amine
CID 119036366
6-chloro-2-cyclopropyl-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 107257730
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 114156857
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 107234131
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130934961
4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 106196599
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926
N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 106504285
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 106196590

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine (CID 106196615) is 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine is Cc1nc(Br)cc(NC(C)c2ncc[nH]2)n1.
What is the InChIKey of 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is OFGCCZBUWXZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-6(10-12-3-4-13-10)14-9-5-8(11)15-7(2)16-9/h3-6H,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine?
6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 282.15 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106196615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).