4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine

C16H19ClN4 — CID 163344110

IUPAC4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H19ClN4/c1-13-10-18-12-19-16(13)21-8-6-20(7-9-21)11-14-4-2-3-5-15(14)17/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFKZLUEJPXZQYQI-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.76
Rot. Bonds3

About 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine

4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine (PubChem CID 163344110) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
PubChem CID163344110
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H19ClN4/c1-13-10-18-12-19-16(13)21-8-6-20(7-9-21)11-14-4-2-3-5-15(14)17/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFKZLUEJPXZQYQI-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 155974702
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
2-[[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 163346240
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279898
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 23931730
5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 133490584
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493072
5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine
CID 167814593

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine (CID 163344110) is 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine is Cc1cncnc1N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is FKZLUEJPXZQYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-13-10-18-12-19-16(13)21-8-6-20(7-9-21)11-14-4-2-3-5-15(14)17/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 302.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 163344110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).