6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine

C11H18N6 — CID 104623745

IUPAC6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
SMILESCC(C)C(C)CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H18N6/c1-6(2)7(3)4-13-9-8-10(15-5-14-8)17-11(12)16-9/h5-7H,4H2,1-3H3,(H4,12,13,14,15,16,17)
InChIKeyDZIUJCVEYFPOCC-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.64
Rot. Bonds4

About 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine

6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine (PubChem CID 104623745) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
PubChem CID104623745
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
SMILESCC(C)C(C)CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H18N6/c1-6(2)7(3)4-13-9-8-10(15-5-14-8)17-11(12)16-9/h5-7H,4H2,1-3H3,(H4,12,13,14,15,16,17)
InChIKeyDZIUJCVEYFPOCC-UHFFFAOYSA-N
XLogP1.64
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688
6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 139906156
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
CID 114785101
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine (CID 104623745) is 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine is CC(C)C(C)CNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine?
The InChIKey is DZIUJCVEYFPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-6(2)7(3)4-13-9-8-10(15-5-14-8)17-11(12)16-9/h5-7H,4H2,1-3H3,(H4,12,13,14,15,16,17).
What are the key properties of 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine?
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine has a molecular weight of 234.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 104623745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).