1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

C17H23N7O — CID 10427424

IUPAC1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
SMILESCN1CCN(CC(O)Cn2cnc3c(-n4cccc4)ncnc32)CC1
InChIInChI=1S/C17H23N7O/c1-21-6-8-22(9-7-21)10-14(25)11-24-13-20-15-16(18-12-19-17(15)24)23-4-2-3-5-23/h2-5,12-14,25H,6-11H2,1H3
InChIKeyXJFFDXQNOOHTCY-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.23
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol (PubChem CID 10427424) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
PubChem CID10427424
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
SMILESCN1CCN(CC(O)Cn2cnc3c(-n4cccc4)ncnc32)CC1
InChIInChI=1S/C17H23N7O/c1-21-6-8-22(9-7-21)10-14(25)11-24-13-20-15-16(18-12-19-17(15)24)23-4-2-3-5-23/h2-5,12-14,25H,6-11H2,1H3
InChIKeyXJFFDXQNOOHTCY-UHFFFAOYSA-N
XLogP0.23
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518373
(2S)-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518374
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518375
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518530
2-Methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol
CID 71720387
1-(4-Benzylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
CID 10093426
9-(2,3-Epoxypropyl)-6-(N-pyrrolyl)purine
CID 475306
1-Isopropylamino-3-(6-pyrrol-1-yl-purin-9-yl)-propan-2-ol
CID 475308
4-(6-Pyrrol-1-ylpurin-9-yl)butan-1-amine;hydrochloride
CID 76323022
2-[[2-(3-Fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58177356
1-[2-[6-(2,2,2-Trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 153331229
9-Methyl-6-pyrrol-1-ylpurine
CID 139206213

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol (CID 10427424) is 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol is CN1CCN(CC(O)Cn2cnc3c(-n4cccc4)ncnc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
The InChIKey is XJFFDXQNOOHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-21-6-8-22(9-7-21)10-14(25)11-24-13-20-15-16(18-12-19-17(15)24)23-4-2-3-5-23/h2-5,12-14,25H,6-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol has a molecular weight of 341.42 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol is sourced from PubChem (CID 10427424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).