2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol

C17H22N6O — CID 175383389

IUPAC2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol
SMILESCCCn1c(NCc2ccccc2)nc2cnc(NCCO)nc21
InChIInChI=1S/C17H22N6O/c1-2-9-23-15-14(12-19-16(22-15)18-8-10-24)21-17(23)20-11-13-6-4-3-5-7-13/h3-7,12,24H,2,8-11H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyFVUQANVGSPWNSN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.25
Rot. Bonds8

About 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol

2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol (PubChem CID 175383389) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol
PubChem CID175383389
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol
SMILESCCCn1c(NCc2ccccc2)nc2cnc(NCCO)nc21
InChIInChI=1S/C17H22N6O/c1-2-9-23-15-14(12-19-16(22-15)18-8-10-24)21-17(23)20-11-13-6-4-3-5-7-13/h3-7,12,24H,2,8-11H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyFVUQANVGSPWNSN-UHFFFAOYSA-N
XLogP2.25
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol?
The IUPAC name of 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol (CID 175383389) is 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol is CCCn1c(NCc2ccccc2)nc2cnc(NCCO)nc21.
What is the InChIKey of 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol?
The InChIKey is FVUQANVGSPWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-9-23-15-14(12-19-16(22-15)18-8-10-24)21-17(23)20-11-13-6-4-3-5-7-13/h3-7,12,24H,2,8-11H2,1H3,(H,20,21)(H,18,19,22).
What are the key properties of 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol?
2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol has a molecular weight of 326.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol is sourced from PubChem (CID 175383389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).