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

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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).