6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine

C15H26N6 — CID 114783314

IUPAC6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCCCN(CCCC)c1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C15H26N6/c1-4-7-9-21(10-8-5-2)14-12-13(18-11-17-12)19-15(20-14)16-6-3/h11H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyKYTOIJAFMBSWIH-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.19
Rot. Bonds9

About 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine

6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 114783314) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID114783314
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCCCN(CCCC)c1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C15H26N6/c1-4-7-9-21(10-8-5-2)14-12-13(18-11-17-12)19-15(20-14)16-6-3/h11H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyKYTOIJAFMBSWIH-UHFFFAOYSA-N
XLogP3.19
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine (CID 114783314) is 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine is CCCCN(CCCC)c1nc(NCC)nc2nc[nH]c12.
What is the InChIKey of 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is KYTOIJAFMBSWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-4-7-9-21(10-8-5-2)14-12-13(18-11-17-12)19-15(20-14)16-6-3/h11H,4-10H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine?
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 290.42 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).