2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol

C16H18N6O — CID 117081323

IUPAC2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol
SMILESOCCNc1nc(N2CCc3ccccc3C2)nc2nc[nH]c12
InChIInChI=1S/C16H18N6O/c23-8-6-17-14-13-15(19-10-18-13)21-16(20-14)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,10,23H,5-9H2,(H2,17,18,19,20,21)
InChIKeySIWUDXVZENMJGK-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.32
Rot. Bonds4

About 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol

2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol (PubChem CID 117081323) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol
PubChem CID117081323
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol
SMILESOCCNc1nc(N2CCc3ccccc3C2)nc2nc[nH]c12
InChIInChI=1S/C16H18N6O/c23-8-6-17-14-13-15(19-10-18-13)21-16(20-14)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,10,23H,5-9H2,(H2,17,18,19,20,21)
InChIKeySIWUDXVZENMJGK-UHFFFAOYSA-N
XLogP1.32
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol with MolForge

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 117083517
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50945732
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117080800
N-[4-(benzylamino)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]hydroxylamine
CID 134107785
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
CID 71690567
2-(2-chloro-7H-purin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 104787339
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine
CID 117087438
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964156
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
CID 59868727
2-[6-(benzylamino)-7H-purin-2-yl]ethanol
CID 141447659
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-9-propan-2-ylpurin-6-amine
CID 117081135

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol (CID 117081323) is 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol is OCCNc1nc(N2CCc3ccccc3C2)nc2nc[nH]c12.
What is the InChIKey of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol?
The InChIKey is SIWUDXVZENMJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-8-6-17-14-13-15(19-10-18-13)21-16(20-14)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,10,23H,5-9H2,(H2,17,18,19,20,21).
What are the key properties of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol?
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol has a molecular weight of 310.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol is sourced from PubChem (CID 117081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).