2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine

C20H22N4O — CID 6483160

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
SMILESCc1cccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)c1C
InChIInChI=1S/C20H22N4O/c1-15-4-3-5-19(16(15)2)23-7-9-24(10-8-23)20-13-21-12-18(22-20)17-6-11-25-14-17/h3-6,11-14H,7-10H2,1-2H3
InChIKeyQKTZZVKSKGRAKA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.68
Rot. Bonds3

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine (PubChem CID 6483160) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
PubChem CID6483160
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
SMILESCc1cccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)c1C
InChIInChI=1S/C20H22N4O/c1-15-4-3-5-19(16(15)2)23-7-9-24(10-8-23)20-13-21-12-18(22-20)17-6-11-25-14-17/h3-6,11-14H,7-10H2,1-2H3
InChIKeyQKTZZVKSKGRAKA-UHFFFAOYSA-N
XLogP3.68
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246
1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
CID 104777973
5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 53126761
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
CID 112875379
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290739
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
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
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine
CID 112957426
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898327
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine (CID 6483160) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine is Cc1cccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine?
The InChIKey is QKTZZVKSKGRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-4-3-5-19(16(15)2)23-7-9-24(10-8-23)20-13-21-12-18(22-20)17-6-11-25-14-17/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine has a molecular weight of 334.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine is sourced from PubChem (CID 6483160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).