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

C16H19ClN4 — CID 36723487

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H19ClN4/c1-12-11-13(2)19-16(18-12)21-9-7-20(8-10-21)15-6-4-3-5-14(15)17/h3-6,11H,7-10H2,1-2H3
InChIKeyOLGMXUZHKUIPIC-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.07
Rot. Bonds2

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

2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 36723487) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
PubChem CID36723487
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H19ClN4/c1-12-11-13(2)19-16(18-12)21-9-7-20(8-10-21)15-6-4-3-5-14(15)17/h3-6,11H,7-10H2,1-2H3
InChIKeyOLGMXUZHKUIPIC-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171334402
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
CID 1472745
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
N-(2-chlorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923923
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 27478059
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine (CID 36723487) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is OLGMXUZHKUIPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-11-13(2)19-16(18-12)21-9-7-20(8-10-21)15-6-4-3-5-14(15)17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine?
2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 302.81 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 36723487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).