4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine

C15H18BrClN6 — CID 165434183

IUPAC4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(c3ncc(Br)cc3Cl)CC2)n1
InChIInChI=1S/C15H18BrClN6/c1-21(2)15-18-4-3-13(20-15)22-5-7-23(8-6-22)14-12(17)9-11(16)10-19-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyAWDCVECSOIELLR-UHFFFAOYSA-N
MW397.71 g/mol
LogP2.68
Rot. Bonds3

About 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 165434183) has the molecular formula C15H18BrClN6 and a molecular weight of 397.71 g/mol. Its IUPAC name is 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID165434183
Molecular FormulaC15H18BrClN6
Molecular Weight397.71 g/mol
Exact Mass396.05
IUPAC Name4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(c3ncc(Br)cc3Cl)CC2)n1
InChIInChI=1S/C15H18BrClN6/c1-21(2)15-18-4-3-13(20-15)22-5-7-23(8-6-22)14-12(17)9-11(16)10-19-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyAWDCVECSOIELLR-UHFFFAOYSA-N
XLogP2.68
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

4-[4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 155981514
4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 165434047
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701414
4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165434180
N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 133461061
4-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 166605092
4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
CID 64831077
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
2-[4-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 103580213
1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561655
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
N-[[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171690975

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 165434183) is 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(N2CCN(c3ncc(Br)cc3Cl)CC2)n1.
What is the InChIKey of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is AWDCVECSOIELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN6/c1-21(2)15-18-4-3-13(20-15)22-5-7-23(8-6-22)14-12(17)9-11(16)10-19-14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 397.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 165434183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).