4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine

C20H28N6 — CID 112888119

IUPAC4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1cccc(N2CCN(c3ccnc(N4CCN(C)CC4)n3)CC2)c1
InChIInChI=1S/C20H28N6/c1-17-4-3-5-18(16-17)24-12-14-25(15-13-24)19-6-7-21-20(22-19)26-10-8-23(2)9-11-26/h3-7,16H,8-15H2,1-2H3
InChIKeyFLDINRKZUVBTCQ-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.86
Rot. Bonds3

About 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine

4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 112888119) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID112888119
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1cccc(N2CCN(c3ccnc(N4CCN(C)CC4)n3)CC2)c1
InChIInChI=1S/C20H28N6/c1-17-4-3-5-18(16-17)24-12-14-25(15-13-24)19-6-7-21-20(22-19)26-10-8-23(2)9-11-26/h3-7,16H,8-15H2,1-2H3
InChIKeyFLDINRKZUVBTCQ-UHFFFAOYSA-N
XLogP1.86
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898153
2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898168
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884796
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934123
3-fluoro-5-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171327245
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (CID 112888119) is 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is Cc1cccc(N2CCN(c3ccnc(N4CCN(C)CC4)n3)CC2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is FLDINRKZUVBTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-17-4-3-5-18(16-17)24-12-14-25(15-13-24)19-6-7-21-20(22-19)26-10-8-23(2)9-11-26/h3-7,16H,8-15H2,1-2H3.
What are the key properties of 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 352.49 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112888119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).