2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine

C15H18BrN5O — CID 171701012

IUPAC2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCN(c3ncc(Br)cc3C)CC2)nc1
InChIInChI=1S/C15H18BrN5O/c1-11-7-12(16)8-17-14(11)20-3-5-21(6-4-20)15-18-9-13(22-2)10-19-15/h7-10H,3-6H2,1-2H3
InChIKeyYEXANHDMYPIDMV-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.28
Rot. Bonds3

About 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine

2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine (PubChem CID 171701012) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
PubChem CID171701012
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCN(c3ncc(Br)cc3C)CC2)nc1
InChIInChI=1S/C15H18BrN5O/c1-11-7-12(16)8-17-14(11)20-3-5-21(6-4-20)15-18-9-13(22-2)10-19-15/h7-10H,3-6H2,1-2H3
InChIKeyYEXANHDMYPIDMV-UHFFFAOYSA-N
XLogP2.28
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701414
2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 171997136
1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine
CID 79718223
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 79713141
5-bromo-4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 171702205
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944496
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol
CID 133362597
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 79713125
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
The IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine (CID 171701012) is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine.
What is the SMILES notation for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
The canonical SMILES for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine is COc1cnc(N2CCN(c3ncc(Br)cc3C)CC2)nc1.
What is the InChIKey of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
The InChIKey is YEXANHDMYPIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-11-7-12(16)8-17-14(11)20-3-5-21(6-4-20)15-18-9-13(22-2)10-19-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine?
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine has a molecular weight of 364.25 g/mol, XLogP of 2.28, 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]-5-methoxypyrimidine is sourced from PubChem (CID 171701012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).