N,N-dibutyl-7H-purin-6-amine

C13H21N5 — CID 2155055

IUPACN,N-dibutyl-7H-purin-6-amine
SMILESCCCCN(CCCC)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H21N5/c1-3-5-7-18(8-6-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyLZSBOVSYRLCELU-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.76
Rot. Bonds7

About N,N-dibutyl-7H-purin-6-amine

N,N-dibutyl-7H-purin-6-amine (PubChem CID 2155055) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N,N-dibutyl-7H-purin-6-amine.

Molecular Properties

Compound NameN,N-dibutyl-7H-purin-6-amine
PubChem CID2155055
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN,N-dibutyl-7H-purin-6-amine
SMILESCCCCN(CCCC)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H21N5/c1-3-5-7-18(8-6-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyLZSBOVSYRLCELU-UHFFFAOYSA-N
XLogP2.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-7H-purin-6-amine?
The IUPAC name of N,N-dibutyl-7H-purin-6-amine (CID 2155055) is N,N-dibutyl-7H-purin-6-amine.
What is the SMILES notation for N,N-dibutyl-7H-purin-6-amine?
The canonical SMILES for N,N-dibutyl-7H-purin-6-amine is CCCCN(CCCC)c1ncnc2nc[nH]c12.
What is the InChIKey of N,N-dibutyl-7H-purin-6-amine?
The InChIKey is LZSBOVSYRLCELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-5-7-18(8-6-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of N,N-dibutyl-7H-purin-6-amine?
N,N-dibutyl-7H-purin-6-amine has a molecular weight of 247.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-7H-purin-6-amine is sourced from PubChem (CID 2155055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).