2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine

C16H20N4 — CID 82487680

IUPAC2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
SMILESCc1cc(-c2ccc(N3CCNCC3)cc2)nc(C)n1
InChIInChI=1S/C16H20N4/c1-12-11-16(19-13(2)18-12)14-3-5-15(6-4-14)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3
InChIKeyYSWGIRMRIPGDIC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds2

About 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine

2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine (PubChem CID 82487680) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
PubChem CID82487680
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
SMILESCc1cc(-c2ccc(N3CCNCC3)cc2)nc(C)n1
InChIInChI=1S/C16H20N4/c1-12-11-16(19-13(2)18-12)14-3-5-15(6-4-14)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3
InChIKeyYSWGIRMRIPGDIC-UHFFFAOYSA-N
XLogP2.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82482056
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
CID 82483118
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069
1-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 82513477
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine?
The IUPAC name of 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine (CID 82487680) is 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine is Cc1cc(-c2ccc(N3CCNCC3)cc2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine?
The InChIKey is YSWGIRMRIPGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-11-16(19-13(2)18-12)14-3-5-15(6-4-14)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine?
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine is sourced from PubChem (CID 82487680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).