6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine

C11H18N6 — CID 118699160

IUPAC6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine
SMILESCN(Cc1nc(N)nc2nc[nH]c12)C(C)(C)C
InChIInChI=1S/C11H18N6/c1-11(2,3)17(4)5-7-8-9(14-6-13-8)16-10(12)15-7/h6H,5H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyLMFQRGDJPCBACN-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.17
Rot. Bonds2

About 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine

6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine (PubChem CID 118699160) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine
PubChem CID118699160
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine
SMILESCN(Cc1nc(N)nc2nc[nH]c12)C(C)(C)C
InChIInChI=1S/C11H18N6/c1-11(2,3)17(4)5-7-8-9(14-6-13-8)16-10(12)15-7/h6H,5H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyLMFQRGDJPCBACN-UHFFFAOYSA-N
XLogP1.17
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine?
The IUPAC name of 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine (CID 118699160) is 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine.
What is the SMILES notation for 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine?
The canonical SMILES for 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine is CN(Cc1nc(N)nc2nc[nH]c12)C(C)(C)C.
What is the InChIKey of 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine?
The InChIKey is LMFQRGDJPCBACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-11(2,3)17(4)5-7-8-9(14-6-13-8)16-10(12)15-7/h6H,5H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine?
6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine has a molecular weight of 234.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine is sourced from PubChem (CID 118699160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).