4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine

C16H19BrN4 — CID 163356432

IUPAC4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCN(c3cccc(Br)c3)CC2)nc(C)n1
InChIInChI=1S/C16H19BrN4/c1-12-10-16(19-13(2)18-12)21-8-6-20(7-9-21)15-5-3-4-14(17)11-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyKQXREFIKHBXMSH-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.18
Rot. Bonds2

About 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine

4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 163356432) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
PubChem CID163356432
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCN(c3cccc(Br)c3)CC2)nc(C)n1
InChIInChI=1S/C16H19BrN4/c1-12-10-16(19-13(2)18-12)21-8-6-20(7-9-21)15-5-3-4-14(17)11-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyKQXREFIKHBXMSH-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine (CID 163356432) is 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCN(c3cccc(Br)c3)CC2)nc(C)n1.
What is the InChIKey of 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is KQXREFIKHBXMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-12-10-16(19-13(2)18-12)21-8-6-20(7-9-21)15-5-3-4-14(17)11-15/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 347.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 163356432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).