2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine

C15H16Cl2N4 — CID 79075282

IUPAC2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16Cl2N4/c1-11-10-18-15(17)19-14(11)21-7-5-20(6-8-21)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3
InChIKeyLDAYZQDFKQEGAO-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine

2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine (PubChem CID 79075282) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
PubChem CID79075282
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16Cl2N4/c1-11-10-18-15(17)19-14(11)21-7-5-20(6-8-21)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3
InChIKeyLDAYZQDFKQEGAO-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555429
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine (CID 79075282) is 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine is Cc1cnc(Cl)nc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is LDAYZQDFKQEGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-11-10-18-15(17)19-14(11)21-7-5-20(6-8-21)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine?
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 323.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 79075282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).