4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine

C17H22BrN5 — CID 171445988

IUPAC4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CCNC(c3ccccc3Br)C2)nc(N)n1
InChIInChI=1S/C17H22BrN5/c1-11(2)14-9-16(22-17(19)21-14)23-8-7-20-15(10-23)12-5-3-4-6-13(12)18/h3-6,9,11,15,20H,7-8,10H2,1-2H3,(H2,19,21,22)
InChIKeyCBZHGWBODXOXED-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.10
Rot. Bonds3

About 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine

4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine (PubChem CID 171445988) has the molecular formula C17H22BrN5 and a molecular weight of 376.30 g/mol. Its IUPAC name is 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID171445988
Molecular FormulaC17H22BrN5
Molecular Weight376.30 g/mol
Exact Mass375.11
IUPAC Name4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CCNC(c3ccccc3Br)C2)nc(N)n1
InChIInChI=1S/C17H22BrN5/c1-11(2)14-9-16(22-17(19)21-14)23-8-7-20-15(10-23)12-5-3-4-6-13(12)18/h3-6,9,11,15,20H,7-8,10H2,1-2H3,(H2,19,21,22)
InChIKeyCBZHGWBODXOXED-UHFFFAOYSA-N
XLogP3.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-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-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 171446272
4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine
CID 171446126
4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171445959
4-propan-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidin-2-amine
CID 171446245
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
6-[(3S)-3-[2-bromo-5-(1,5-dimethylpyrazol-4-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 171446278
4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95273837
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-propan-2-ylpyrimidin-2-amine
CID 59777359
4-(3-imidazo[1,2-c]pyrimidin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171446029
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 42623653
4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine
CID 24797695

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine (CID 171445988) is 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(N2CCNC(c3ccccc3Br)C2)nc(N)n1.
What is the InChIKey of 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is CBZHGWBODXOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5/c1-11(2)14-9-16(22-17(19)21-14)23-8-7-20-15(10-23)12-5-3-4-6-13(12)18/h3-6,9,11,15,20H,7-8,10H2,1-2H3,(H2,19,21,22).
What are the key properties of 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 376.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 171445988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).