2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine

C20H28N6 — CID 123348246

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
SMILESCc1cccc(N2CCN(c3nccc(N4CCNCC4)n3)CC2)c1C
InChIInChI=1S/C20H28N6/c1-16-4-3-5-18(17(16)2)24-12-14-26(15-13-24)20-22-7-6-19(23-20)25-10-8-21-9-11-25/h3-7,21H,8-15H2,1-2H3
InChIKeyUVCXJHMVXAMSAW-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.83
Rot. Bonds3

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine (PubChem CID 123348246) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
PubChem CID123348246
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
SMILESCc1cccc(N2CCN(c3nccc(N4CCNCC4)n3)CC2)c1C
InChIInChI=1S/C20H28N6/c1-16-4-3-5-18(17(16)2)24-12-14-26(15-13-24)20-22-7-6-19(23-20)25-10-8-21-9-11-25/h3-7,21H,8-15H2,1-2H3
InChIKeyUVCXJHMVXAMSAW-UHFFFAOYSA-N
XLogP1.83
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112898344
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898325
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
N-(4-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898350
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
CID 68575451
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine (CID 123348246) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine is Cc1cccc(N2CCN(c3nccc(N4CCNCC4)n3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine?
The InChIKey is UVCXJHMVXAMSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-16-4-3-5-18(17(16)2)24-12-14-26(15-13-24)20-22-7-6-19(23-20)25-10-8-21-9-11-25/h3-7,21H,8-15H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine has a molecular weight of 352.49 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine is sourced from PubChem (CID 123348246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).