4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine

C15H17ClN4 — CID 130167475

IUPAC4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
SMILESClc1cncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H17ClN4/c16-14-10-17-12-18-15(14)20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyNDSOLPTZXJDMAK-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.45
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine

4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine (PubChem CID 130167475) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
PubChem CID130167475
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
SMILESClc1cncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H17ClN4/c16-14-10-17-12-18-15(14)20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyNDSOLPTZXJDMAK-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide
CID 133490606
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 163344110
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 133490584
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 155974702
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
4-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyrimidine-5-carboxylic acid
CID 72844074
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine (CID 130167475) is 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine is Clc1cncnc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine?
The InChIKey is NDSOLPTZXJDMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-14-10-17-12-18-15(14)20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine?
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine is sourced from PubChem (CID 130167475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).