8-benzyl-7H-purin-6-amine;ethane

C14H17N5 — CID 144791619

IUPAC8-benzyl-7H-purin-6-amine;ethane
SMILESCC.Nc1ncnc2nc(Cc3ccccc3)[nH]c12
InChIInChI=1S/C12H11N5.C2H6/c13-11-10-12(15-7-14-11)17-9(16-10)6-8-4-2-1-3-5-8;1-2/h1-5,7H,6H2,(H3,13,14,15,16,17);1-2H3
InChIKeyFUTMXPSWRLKBFF-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.55
Rot. Bonds2

About 8-benzyl-7H-purin-6-amine;ethane

8-benzyl-7H-purin-6-amine;ethane (PubChem CID 144791619) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 8-benzyl-7H-purin-6-amine;ethane.

Molecular Properties

Compound Name8-benzyl-7H-purin-6-amine;ethane
PubChem CID144791619
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name8-benzyl-7H-purin-6-amine;ethane
SMILESCC.Nc1ncnc2nc(Cc3ccccc3)[nH]c12
InChIInChI=1S/C12H11N5.C2H6/c13-11-10-12(15-7-14-11)17-9(16-10)6-8-4-2-1-3-5-8;1-2/h1-5,7H,6H2,(H3,13,14,15,16,17);1-2H3
InChIKeyFUTMXPSWRLKBFF-UHFFFAOYSA-N
XLogP2.55
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-phenylbutyl)-7H-purin-6-amine
CID 4019685
8-[(3-bromophenyl)methyl]-7H-purin-6-amine
CID 114608290
8-(1,3-benzodioxol-5-ylmethyl)-7H-purin-6-amine
CID 171714313
6-benzyl-8-methyl-7H-purine
CID 11481499
8-(3-methylbut-3-enyl)-7H-purin-6-amine
CID 155026179
1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
CID 114607937
8-(3-ethoxypropyl)-7H-purin-6-amine
CID 114608170
8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine
CID 114608052
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
CID 55230387
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
3-(6-amino-7H-purin-8-yl)-1,1,1-trifluoropropan-2-one
CID 114608424

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-7H-purin-6-amine;ethane?
The IUPAC name of 8-benzyl-7H-purin-6-amine;ethane (CID 144791619) is 8-benzyl-7H-purin-6-amine;ethane.
What is the SMILES notation for 8-benzyl-7H-purin-6-amine;ethane?
The canonical SMILES for 8-benzyl-7H-purin-6-amine;ethane is CC.Nc1ncnc2nc(Cc3ccccc3)[nH]c12.
What is the InChIKey of 8-benzyl-7H-purin-6-amine;ethane?
The InChIKey is FUTMXPSWRLKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5.C2H6/c13-11-10-12(15-7-14-11)17-9(16-10)6-8-4-2-1-3-5-8;1-2/h1-5,7H,6H2,(H3,13,14,15,16,17);1-2H3.
What are the key properties of 8-benzyl-7H-purin-6-amine;ethane?
8-benzyl-7H-purin-6-amine;ethane has a molecular weight of 255.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-7H-purin-6-amine;ethane is sourced from PubChem (CID 144791619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).