N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline

C22H21BrN4 — CID 23965934

IUPACN-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline
SMILESCc1cc(C)n2c(Br)c(CN(Cc3ccccc3)c3ccccc3)nc2n1
InChIInChI=1S/C22H21BrN4/c1-16-13-17(2)27-21(23)20(25-22(27)24-16)15-26(19-11-7-4-8-12-19)14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3
InChIKeyABJYUVUDFGKOEO-UHFFFAOYSA-N
MW421.34 g/mol
LogP5.32
Rot. Bonds5

About N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline

N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline (PubChem CID 23965934) has the molecular formula C22H21BrN4 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline
PubChem CID23965934
Molecular FormulaC22H21BrN4
Molecular Weight421.34 g/mol
Exact Mass420.09
IUPAC NameN-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline
SMILESCc1cc(C)n2c(Br)c(CN(Cc3ccccc3)c3ccccc3)nc2n1
InChIInChI=1S/C22H21BrN4/c1-16-13-17(2)27-21(23)20(25-22(27)24-16)15-26(19-11-7-4-8-12-19)14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3
InChIKeyABJYUVUDFGKOEO-UHFFFAOYSA-N
XLogP5.32
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
CID 23857298
N,N-dibenzylaniline
CID 139071697
3-bromo-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 7042307
4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine
CID 23766177
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
CID 2473900
N-benzyl-N-(2,2-dimethylpropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287633
N-benzyl-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 4882757
N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 12851659
N-benzyl-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740245
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80656838
N,N-dibenzylpyridin-4-amine
CID 15006775
(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
CID 99630819

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline?
The IUPAC name of N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline (CID 23965934) is N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline.
What is the SMILES notation for N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline?
The canonical SMILES for N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline is Cc1cc(C)n2c(Br)c(CN(Cc3ccccc3)c3ccccc3)nc2n1.
What is the InChIKey of N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline?
The InChIKey is ABJYUVUDFGKOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4/c1-16-13-17(2)27-21(23)20(25-22(27)24-16)15-26(19-11-7-4-8-12-19)14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline?
N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline has a molecular weight of 421.34 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline is sourced from PubChem (CID 23965934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).