2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine

C15H16Cl2N4 — CID 79639316

IUPAC2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(Cl)ncc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C15H16Cl2N4/c1-20-7-8-21(14-12(16)9-18-15(17)19-14)13(10-20)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3
InChIKeyCUGLNEOWAUOUFI-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.28
Rot. Bonds2

About 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine

2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine (PubChem CID 79639316) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
PubChem CID79639316
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(Cl)ncc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C15H16Cl2N4/c1-20-7-8-21(14-12(16)9-18-15(17)19-14)13(10-20)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3
InChIKeyCUGLNEOWAUOUFI-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 764708
2-[4-[(4-Ethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 791481
2-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 2838383
2-[4-[(3,4-Dichlorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 2838565
5-chloro-N,6-dimethyl-N-phenethyl-2-(pyridin-2-yl)pyrimidin-4-amine
CID 12004233
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1408942

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine (CID 79639316) is 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine is CN1CCN(c2nc(Cl)ncc2Cl)C(c2ccccc2)C1.
What is the InChIKey of 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is CUGLNEOWAUOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-20-7-8-21(14-12(16)9-18-15(17)19-14)13(10-20)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3.
What are the key properties of 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 323.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 79639316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).