N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine

C17H21BrN4 — CID 130559000

IUPACN-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NC2CCN(Cc3ccccc3)C2C)n1
InChIInChI=1S/C17H21BrN4/c1-12-15(21-17-10-16(18)19-13(2)20-17)8-9-22(12)11-14-6-4-3-5-7-14/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,20,21)
InChIKeyVEQAWDBKMOUNTJ-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.62
Rot. Bonds4

About N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine

N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine (PubChem CID 130559000) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine
PubChem CID130559000
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NC2CCN(Cc3ccccc3)C2C)n1
InChIInChI=1S/C17H21BrN4/c1-12-15(21-17-10-16(18)19-13(2)20-17)8-9-22(12)11-14-6-4-3-5-7-14/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,20,21)
InChIKeyVEQAWDBKMOUNTJ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine
CID 130558893
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylpyridin-3-amine
CID 130546436
N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 130559015
4-[(1-benzyl-2-methylpyrrolidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 167796937
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
6-[(2S)-1-benzylazetidin-2-yl]-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 95847281
1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
CID 130559150
1-benzyl-N-methylazetidin-2-amine
CID 57429452
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine?
The IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine (CID 130559000) is N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine is Cc1nc(Br)cc(NC2CCN(Cc3ccccc3)C2C)n1.
What is the InChIKey of N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine?
The InChIKey is VEQAWDBKMOUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c1-12-15(21-17-10-16(18)19-13(2)20-17)8-9-22(12)11-14-6-4-3-5-7-14/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine?
N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine has a molecular weight of 361.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine is sourced from PubChem (CID 130559000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).