2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine

C15H17ClN4 — CID 82169345

IUPAC2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine
SMILESCc1cc(N2CCNCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN4/c1-11-10-14(20-8-6-17-7-9-20)19-15(18-11)12-4-2-3-5-13(12)16/h2-5,10,17H,6-9H2,1H3
InChIKeyBAKUHHPZNFDFNJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.52
Rot. Bonds2

About 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine

2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine (PubChem CID 82169345) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine
PubChem CID82169345
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine
SMILESCc1cc(N2CCNCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN4/c1-11-10-14(20-8-6-17-7-9-20)19-15(18-11)12-4-2-3-5-13(12)16/h2-5,10,17H,6-9H2,1H3
InChIKeyBAKUHHPZNFDFNJ-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
CID 56766882
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)hydrazine
CID 80917500
4-methyl-2-piperazin-1-ylquinoline
CID 598754
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
2-amino-N'-[2-(2-chlorophenyl)-5-methyl-6-piperazin-1-ylpyrimidin-4-yl]benzenecarboximidamide
CID 142126740
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
CID 158334079
[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768235
1-(2-chlorophenyl)piperazine
CID 162116490
2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 28908823
4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
CID 95929569
2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine
CID 142126982

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine (CID 82169345) is 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine is Cc1cc(N2CCNCC2)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine?
The InChIKey is BAKUHHPZNFDFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-11-10-14(20-8-6-17-7-9-20)19-15(18-11)12-4-2-3-5-13(12)16/h2-5,10,17H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine?
2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 82169345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).