2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

C17H23BrN6 — CID 171997136

IUPAC2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(c3ncc(Br)cc3C)CC2)n1
InChIInChI=1S/C17H23BrN6/c1-12-9-14(18)11-19-16(12)23-5-7-24(8-6-23)17-20-13(2)10-15(21-17)22(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFTBMYZWTMZVEOJ-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.64
Rot. Bonds3

About 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (PubChem CID 171997136) has the molecular formula C17H23BrN6 and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
PubChem CID171997136
Molecular FormulaC17H23BrN6
Molecular Weight391.32 g/mol
Exact Mass390.12
IUPAC Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(c3ncc(Br)cc3C)CC2)n1
InChIInChI=1S/C17H23BrN6/c1-12-9-14(18)11-19-16(12)23-5-7-24(8-6-23)17-20-13(2)10-15(21-17)22(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFTBMYZWTMZVEOJ-UHFFFAOYSA-N
XLogP2.64
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701012
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165432979
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165433876
(3-bromophenyl)-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 22585317
1-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133373725
4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 139023232
4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171997335
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 79713141
1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine
CID 79718223
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18566518
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163348279

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (CID 171997136) is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCN(c3ncc(Br)cc3C)CC2)n1.
What is the InChIKey of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The InChIKey is FTBMYZWTMZVEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6/c1-12-9-14(18)11-19-16(12)23-5-7-24(8-6-23)17-20-13(2)10-15(21-17)22(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine has a molecular weight of 391.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 171997136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).