2-[6-(benzylamino)-7H-purin-2-yl]ethanol

C14H15N5O — CID 141447659

IUPAC2-[6-(benzylamino)-7H-purin-2-yl]ethanol
SMILESOCCc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H15N5O/c20-7-6-11-18-13(12-14(19-11)17-9-16-12)15-8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,16,17,18,19)
InChIKeySOWROVXJZMCMTQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.50
Rot. Bonds5

About 2-[6-(benzylamino)-7H-purin-2-yl]ethanol

2-[6-(benzylamino)-7H-purin-2-yl]ethanol (PubChem CID 141447659) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[6-(benzylamino)-7H-purin-2-yl]ethanol.

Molecular Properties

Compound Name2-[6-(benzylamino)-7H-purin-2-yl]ethanol
PubChem CID141447659
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[6-(benzylamino)-7H-purin-2-yl]ethanol
SMILESOCCc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H15N5O/c20-7-6-11-18-13(12-14(19-11)17-9-16-12)15-8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,16,17,18,19)
InChIKeySOWROVXJZMCMTQ-UHFFFAOYSA-N
XLogP1.50
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
N-[6-(benzylamino)-7H-purin-2-yl]benzamide
CID 155563377
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
CID 11747563
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
2-benzyl-N-tert-butyl-7H-purin-6-amine
CID 23106936
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-7H-purine-2,6-diamine
CID 117084912
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
6-N-benzyl-2-N-[3-(2-methoxyethoxy)phenyl]-7H-purine-2,6-diamine
CID 118426241
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155555496
N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
CID 142057202

Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzylamino)-7H-purin-2-yl]ethanol?
The IUPAC name of 2-[6-(benzylamino)-7H-purin-2-yl]ethanol (CID 141447659) is 2-[6-(benzylamino)-7H-purin-2-yl]ethanol.
What is the SMILES notation for 2-[6-(benzylamino)-7H-purin-2-yl]ethanol?
The canonical SMILES for 2-[6-(benzylamino)-7H-purin-2-yl]ethanol is OCCc1nc(NCc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 2-[6-(benzylamino)-7H-purin-2-yl]ethanol?
The InChIKey is SOWROVXJZMCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-7-6-11-18-13(12-14(19-11)17-9-16-12)15-8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,16,17,18,19).
What are the key properties of 2-[6-(benzylamino)-7H-purin-2-yl]ethanol?
2-[6-(benzylamino)-7H-purin-2-yl]ethanol has a molecular weight of 269.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylamino)-7H-purin-2-yl]ethanol is sourced from PubChem (CID 141447659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).