2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine

C16H19ClN4 — CID 163352025

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(c3cc(Cl)ccc3C)CC2)nc1
InChIInChI=1S/C16H19ClN4/c1-12-10-18-16(19-11-12)21-7-5-20(6-8-21)15-9-14(17)4-3-13(15)2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyVJCKLYFKSHFKNF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.07
Rot. Bonds2

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine (PubChem CID 163352025) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
PubChem CID163352025
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(c3cc(Cl)ccc3C)CC2)nc1
InChIInChI=1S/C16H19ClN4/c1-12-10-18-16(19-11-12)21-7-5-20(6-8-21)15-9-14(17)4-3-13(15)2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyVJCKLYFKSHFKNF-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-(5-chloro-2-methylphenyl)piperazine
CID 693767
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
1-(5-chloro-2-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130105
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
1-(5-chloro-2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine
CID 78845508
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
ethyl 6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 36553857
4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111264276
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
CID 67161981

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine (CID 163352025) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCN(c3cc(Cl)ccc3C)CC2)nc1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is VJCKLYFKSHFKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-10-18-16(19-11-12)21-7-5-20(6-8-21)15-9-14(17)4-3-13(15)2/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine 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-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 163352025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).