2-benzyl-N-tert-butyl-7H-purin-6-amine

C16H19N5 — CID 23106936

IUPAC2-benzyl-N-tert-butyl-7H-purin-6-amine
SMILESCC(C)(C)Nc1nc(Cc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C16H19N5/c1-16(2,3)21-15-13-14(18-10-17-13)19-12(20-15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyKQKXKPADJJEYHY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.15
Rot. Bonds3

About 2-benzyl-N-tert-butyl-7H-purin-6-amine

2-benzyl-N-tert-butyl-7H-purin-6-amine (PubChem CID 23106936) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-benzyl-N-tert-butyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-benzyl-N-tert-butyl-7H-purin-6-amine
PubChem CID23106936
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-benzyl-N-tert-butyl-7H-purin-6-amine
SMILESCC(C)(C)Nc1nc(Cc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C16H19N5/c1-16(2,3)21-15-13-14(18-10-17-13)19-12(20-15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyKQKXKPADJJEYHY-UHFFFAOYSA-N
XLogP3.15
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-7H-purin-6-amine
CID 15986830
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
CID 11747563
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
2-[6-(benzylamino)-7H-purin-2-yl]ethanol
CID 141447659
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 154249196
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
N-methyl-2-(methylaminomethyl)-7H-purin-6-amine
CID 59881619
N-(2,2-diphenylethyl)-2-[(2-methylpropylamino)methyl]-7H-purin-6-amine
CID 142057202
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-tert-butyl-7H-purin-6-amine?
The IUPAC name of 2-benzyl-N-tert-butyl-7H-purin-6-amine (CID 23106936) is 2-benzyl-N-tert-butyl-7H-purin-6-amine.
What is the SMILES notation for 2-benzyl-N-tert-butyl-7H-purin-6-amine?
The canonical SMILES for 2-benzyl-N-tert-butyl-7H-purin-6-amine is CC(C)(C)Nc1nc(Cc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of 2-benzyl-N-tert-butyl-7H-purin-6-amine?
The InChIKey is KQKXKPADJJEYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-16(2,3)21-15-13-14(18-10-17-13)19-12(20-15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-benzyl-N-tert-butyl-7H-purin-6-amine?
2-benzyl-N-tert-butyl-7H-purin-6-amine has a molecular weight of 281.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-tert-butyl-7H-purin-6-amine is sourced from PubChem (CID 23106936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).