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

C17H19BrN4 — CID 23857298

IUPACN-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCc1cc(C)n2c(Br)c(CN(C)Cc3ccccc3)nc2n1
InChIInChI=1S/C17H19BrN4/c1-12-9-13(2)22-16(18)15(20-17(22)19-12)11-21(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyOGIBHGJORSSDFL-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.74
Rot. Bonds4

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

N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 23857298) has the molecular formula C17H19BrN4 and a molecular weight of 359.27 g/mol. Its IUPAC name is N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID23857298
Molecular FormulaC17H19BrN4
Molecular Weight359.27 g/mol
Exact Mass358.08
IUPAC NameN-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCc1cc(C)n2c(Br)c(CN(C)Cc3ccccc3)nc2n1
InChIInChI=1S/C17H19BrN4/c1-12-9-13(2)22-16(18)15(20-17(22)19-12)11-21(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyOGIBHGJORSSDFL-UHFFFAOYSA-N
XLogP3.74
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-benzyl-N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]aniline
CID 23965934
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
CID 2473900
2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol
CID 122418730
3-bromo-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 7042307
2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8541214
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
CID 130604297
3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 4590184
N-benzyl-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740245
N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608690
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80657866

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine (CID 23857298) is N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine is Cc1cc(C)n2c(Br)c(CN(C)Cc3ccccc3)nc2n1.
What is the InChIKey of N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is OGIBHGJORSSDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4/c1-12-9-13(2)22-16(18)15(20-17(22)19-12)11-21(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine?
N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 359.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 23857298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).