6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

C17H22BrN5 — CID 154883037

IUPAC6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(N2CCN(Cc3ccccc3Br)CC2)ncn1
InChIInChI=1S/C17H22BrN5/c1-21(2)16-11-17(20-13-19-16)23-9-7-22(8-10-23)12-14-5-3-4-6-15(14)18/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeySDCKZIOQPQUIJI-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.63
Rot. Bonds4

About 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 154883037) has the molecular formula C17H22BrN5 and a molecular weight of 376.30 g/mol. Its IUPAC name is 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID154883037
Molecular FormulaC17H22BrN5
Molecular Weight376.30 g/mol
Exact Mass375.11
IUPAC Name6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(N2CCN(Cc3ccccc3Br)CC2)ncn1
InChIInChI=1S/C17H22BrN5/c1-21(2)16-11-17(20-13-19-16)23-9-7-22(8-10-23)12-14-5-3-4-6-15(14)18/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeySDCKZIOQPQUIJI-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine 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

6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282156
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
CID 122282250
6-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 136568889
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 55023776
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282072
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 154883037) is 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1cc(N2CCN(Cc3ccccc3Br)CC2)ncn1.
What is the InChIKey of 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is SDCKZIOQPQUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5/c1-21(2)16-11-17(20-13-19-16)23-9-7-22(8-10-23)12-14-5-3-4-6-15(14)18/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 376.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 154883037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).