N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine

C17H21BrN4 — CID 133468678

IUPACN-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCN(c3cccc(Br)c3)C2)n1
InChIInChI=1S/C17H21BrN4/c1-12-9-19-13(2)17(21-12)20-10-14-6-7-22(11-14)16-5-3-4-15(18)8-16/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyXCTQBEOHNPWAJD-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.79
Rot. Bonds4

About N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine

N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 133468678) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID133468678
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC NameN-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCN(c3cccc(Br)c3)C2)n1
InChIInChI=1S/C17H21BrN4/c1-12-9-19-13(2)17(21-12)20-10-14-6-7-22(11-14)16-5-3-4-15(18)8-16/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyXCTQBEOHNPWAJD-UHFFFAOYSA-N
XLogP3.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284176
1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 154841822
1-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-propylguanidine
CID 111226302
6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]-1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261425
1-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522495
4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 72862236
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210568
6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
CID 87021035
1-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968023
1-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110977293
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 97002523
[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133298767

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine (CID 133468678) is N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCC2CCN(c3cccc(Br)c3)C2)n1.
What is the InChIKey of N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is XCTQBEOHNPWAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c1-12-9-19-13(2)17(21-12)20-10-14-6-7-22(11-14)16-5-3-4-15(18)8-16/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine?
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 361.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 133468678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).