6-N-tert-butyl-7H-purine-2,6-diamine

C9H14N6 — CID 114783406

IUPAC6-N-tert-butyl-7H-purine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H14N6/c1-9(2,3)15-7-5-6(12-4-11-5)13-8(10)14-7/h4H,1-3H3,(H4,10,11,12,13,14,15)
InChIKeyPEHFYTZVIVUPKZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.15
Rot. Bonds1

About 6-N-tert-butyl-7H-purine-2,6-diamine

6-N-tert-butyl-7H-purine-2,6-diamine (PubChem CID 114783406) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-N-tert-butyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-7H-purine-2,6-diamine
PubChem CID114783406
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name6-N-tert-butyl-7H-purine-2,6-diamine
SMILESCC(C)(C)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H14N6/c1-9(2,3)15-7-5-6(12-4-11-5)13-8(10)14-7/h4H,1-3H3,(H4,10,11,12,13,14,15)
InChIKeyPEHFYTZVIVUPKZ-UHFFFAOYSA-N
XLogP1.15
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
CID 114143219
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
2-benzyl-N-tert-butyl-7H-purin-6-amine
CID 23106936
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-tert-butyl-7H-purine-2,6-diamine (CID 114783406) is 6-N-tert-butyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-tert-butyl-7H-purine-2,6-diamine is CC(C)(C)Nc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-tert-butyl-7H-purine-2,6-diamine?
The InChIKey is PEHFYTZVIVUPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-9(2,3)15-7-5-6(12-4-11-5)13-8(10)14-7/h4H,1-3H3,(H4,10,11,12,13,14,15).
What are the key properties of 6-N-tert-butyl-7H-purine-2,6-diamine?
6-N-tert-butyl-7H-purine-2,6-diamine has a molecular weight of 206.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).