4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide

C23H24N8O2 — CID 155102861

IUPAC4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)cc1
InChIInChI=1S/C23H24N8O2/c1-25-22(33)15-2-4-17(5-3-15)31-14-26-19-20(24)27-23(28-21(19)31)30-12-10-29(11-13-30)16-6-8-18(32)9-7-16/h2-9,14,32H,10-13H2,1H3,(H,25,33)(H2,24,27,28)
InChIKeyAOEHEWSZLNVPMQ-UHFFFAOYSA-N
MW444.50 g/mol
LogP1.79
Rot. Bonds4

About 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide

4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide (PubChem CID 155102861) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide
PubChem CID155102861
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)cc1
InChIInChI=1S/C23H24N8O2/c1-25-22(33)15-2-4-17(5-3-15)31-14-26-19-20(24)27-23(28-21(19)31)30-12-10-29(11-13-30)16-6-8-18(32)9-7-16/h2-9,14,32H,10-13H2,1H3,(H,25,33)(H2,24,27,28)
InChIKeyAOEHEWSZLNVPMQ-UHFFFAOYSA-N
XLogP1.79
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]benzoate
CID 155102713
4-[4-[6-amino-9-(4-fluorophenyl)purin-2-yl]piperazin-1-yl]phenol
CID 155102719
1-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]-methylamino]propan-2-one
CID 165000825
2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol
CID 155102768
4-[1-(6-amino-9-pyridin-4-ylpurin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]phenol;4-[1-(6-amino-9-pyridin-4-ylpurin-2-yl)piperidin-4-yl]phenol
CID 165106064
N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225281
4-[4-[2-[5-amino-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-3-yl]ethyl]piperazin-1-yl]-N-methylbenzamide
CID 146467879
4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
CID 53385801
4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol
CID 155102762
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
4-[4-(4-amino-7-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]amino]acetic acid;2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]-methylamino]acetic acid;4-[4-(9-pyridin-4-ylpurin-2-yl)piperazin-1-yl]phenol
CID 165051477
4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol
CID 155102877

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide?
The IUPAC name of 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide (CID 155102861) is 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide?
The canonical SMILES for 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide is CNC(=O)c1ccc(-n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)cc1.
What is the InChIKey of 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide?
The InChIKey is AOEHEWSZLNVPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-25-22(33)15-2-4-17(5-3-15)31-14-26-19-20(24)27-23(28-21(19)31)30-12-10-29(11-13-30)16-6-8-18(32)9-7-16/h2-9,14,32H,10-13H2,1H3,(H,25,33)(H2,24,27,28).
What are the key properties of 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide?
4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide has a molecular weight of 444.50 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide is sourced from PubChem (CID 155102861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).