2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine

C21H22N6O — CID 155753543

IUPAC2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine
SMILESCc1ccc(-c2nc(-c3cccc(N4CCN(C)CC4)c3)c3[nH]cnc3n2)o1
InChIInChI=1S/C21H22N6O/c1-14-6-7-17(28-14)20-24-18(19-21(25-20)23-13-22-19)15-4-3-5-16(12-15)27-10-8-26(2)9-11-27/h3-7,12-13H,8-11H2,1-2H3,(H,22,23,24,25)
InChIKeyDAIJYABMRSWASK-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.34
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine

2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine (PubChem CID 155753543) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine
PubChem CID155753543
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine
SMILESCc1ccc(-c2nc(-c3cccc(N4CCN(C)CC4)c3)c3[nH]cnc3n2)o1
InChIInChI=1S/C21H22N6O/c1-14-6-7-17(28-14)20-24-18(19-21(25-20)23-13-22-19)15-4-3-5-16(12-15)27-10-8-26(2)9-11-27/h3-7,12-13H,8-11H2,1-2H3,(H,22,23,24,25)
InChIKeyDAIJYABMRSWASK-UHFFFAOYSA-N
XLogP3.34
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
CID 141166517
1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
CID 90364267
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
N-[3-[[6-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide
CID 69239292
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
CID 25218278
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
ethyl 5-[3-(4-methylpiperazin-1-yl)phenyl]-2H-triazole-4-carboxylate
CID 169401471

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine?
The IUPAC name of 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine (CID 155753543) is 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine is Cc1ccc(-c2nc(-c3cccc(N4CCN(C)CC4)c3)c3[nH]cnc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine?
The InChIKey is DAIJYABMRSWASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-6-7-17(28-14)20-24-18(19-21(25-20)23-13-22-19)15-4-3-5-16(12-15)27-10-8-26(2)9-11-27/h3-7,12-13H,8-11H2,1-2H3,(H,22,23,24,25).
What are the key properties of 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine?
2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine has a molecular weight of 374.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine is sourced from PubChem (CID 155753543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).