5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride

C15H19ClN4 — CID 118022265

IUPAC5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
SMILES[Cl-].[H+].c1ccc(Cc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H18N4.ClH/c1-2-4-13(5-3-1)10-14-11-17-15(18-12-14)19-8-6-16-7-9-19;/h1-5,11-12,16H,6-10H2;1H
InChIKeyYPSDMADKWUBHJV-UHFFFAOYSA-N
MW290.80 g/mol
LogP-1.41
Rot. Bonds3

About 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride

5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride (PubChem CID 118022265) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride.

Molecular Properties

Compound Name5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
PubChem CID118022265
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
SMILES[Cl-].[H+].c1ccc(Cc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H18N4.ClH/c1-2-4-13(5-3-1)10-14-11-17-15(18-12-14)19-8-6-16-7-9-19;/h1-5,11-12,16H,6-10H2;1H
InChIKeyYPSDMADKWUBHJV-UHFFFAOYSA-N
XLogP-1.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 117224214
2-[(2-piperazin-1-ylpyrimidin-5-yl)methyl]phenol
CID 117224221
5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride
CID 170986684
2-[[2-(1,4-diazepan-1-yl)pyrimidin-5-yl]methyl]phenol
CID 117224249
1-(4-benzylphenyl)piperazine
CID 4738749
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 118023395
4-(4-benzyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine
CID 161423330
butane;2-piperazin-1-ylpyrimidine
CID 144912345
1-[2-(2-phenylethyl)-3-pyridinyl]piperazine
CID 173128049
8-(5-benzylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octane
CID 159671236
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride?
The IUPAC name of 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride (CID 118022265) is 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride.
What is the SMILES notation for 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride?
The canonical SMILES for 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride is [Cl-].[H+].c1ccc(Cc2cnc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride?
The InChIKey is YPSDMADKWUBHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4.ClH/c1-2-4-13(5-3-1)10-14-11-17-15(18-12-14)19-8-6-16-7-9-19;/h1-5,11-12,16H,6-10H2;1H.
What are the key properties of 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride?
5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride has a molecular weight of 290.80 g/mol, XLogP of -1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride is sourced from PubChem (CID 118022265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).