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

C14H16N6O — CID 114784943

IUPAC2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
SMILESNc1nc(N(CCO)Cc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6O/c15-14-18-12-11(16-9-17-12)13(19-14)20(6-7-21)8-10-4-2-1-3-5-10/h1-5,9,21H,6-8H2,(H3,15,16,17,18,19)
InChIKeyAMJGZSUAFZLXKB-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.93
Rot. Bonds5

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

2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol (PubChem CID 114784943) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
PubChem CID114784943
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
SMILESNc1nc(N(CCO)Cc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6O/c15-14-18-12-11(16-9-17-12)13(19-14)20(6-7-21)8-10-4-2-1-3-5-10/h1-5,9,21H,6-8H2,(H3,15,16,17,18,19)
InChIKeyAMJGZSUAFZLXKB-UHFFFAOYSA-N
XLogP0.93
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062
6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682
N-benzyl-2-chloro-N-(naphthalen-1-ylmethyl)-7H-purin-6-amine
CID 141230720
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine
CID 86803034
2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
CID 102757794
2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 115669387
2-[7H-purin-6-yl(thiophen-3-ylmethyl)amino]ethanol
CID 133403413
6-N,6-N-dibenzyl-2-N-[4-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine
CID 118420739

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol (CID 114784943) is 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol is Nc1nc(N(CCO)Cc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol?
The InChIKey is AMJGZSUAFZLXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-14-18-12-11(16-9-17-12)13(19-14)20(6-7-21)8-10-4-2-1-3-5-10/h1-5,9,21H,6-8H2,(H3,15,16,17,18,19).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol?
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol has a molecular weight of 284.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol is sourced from PubChem (CID 114784943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).