2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine

C15H17ClN4 — CID 750733

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESClc1ccccc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2
InChIKeyDQMBJOGFJSJHGY-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.45
Rot. Bonds3

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 750733) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID750733
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESClc1ccccc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2
InChIKeyDQMBJOGFJSJHGY-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

Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine
CID 44453784
ST-1006
CID 45257132
US9205085, Msx-221
CID 49857488
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine
CID 754229
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
N-(4-Chlorobenzyl)pyrimidin-2-amine
CID 4882447
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
Pyrimidine, 2,2'-(o-chlorobenzylidenediimino)di-
CID 100181

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine (CID 750733) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine is Clc1ccccc1CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is DQMBJOGFJSJHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine 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 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 750733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).