6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine

C17H25N9 — CID 117084752

IUPAC6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine
SMILESCC(C)N(CCNc1ncnc2nc(Nc3cnccn3)[nH]c12)C(C)C
InChIInChI=1S/C17H25N9/c1-11(2)26(12(3)4)8-7-20-15-14-16(22-10-21-15)25-17(24-14)23-13-9-18-5-6-19-13/h5-6,9-12H,7-8H2,1-4H3,(H3,19,20,21,22,23,24,25)
InChIKeyJLJOPURWXGBZPZ-UHFFFAOYSA-N
MW355.45 g/mol
LogP2.42
Rot. Bonds8

About 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine

6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine (PubChem CID 117084752) has the molecular formula C17H25N9 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine.

Molecular Properties

Compound Name6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine
PubChem CID117084752
Molecular FormulaC17H25N9
Molecular Weight355.45 g/mol
Exact Mass355.22
IUPAC Name6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine
SMILESCC(C)N(CCNc1ncnc2nc(Nc3cnccn3)[nH]c12)C(C)C
InChIInChI=1S/C17H25N9/c1-11(2)26(12(3)4)8-7-20-15-14-16(22-10-21-15)25-17(24-14)23-13-9-18-5-6-19-13/h5-6,9-12H,7-8H2,1-4H3,(H3,19,20,21,22,23,24,25)
InChIKeyJLJOPURWXGBZPZ-UHFFFAOYSA-N
XLogP2.42
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine?
The IUPAC name of 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine (CID 117084752) is 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine.
What is the SMILES notation for 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine?
The canonical SMILES for 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine is CC(C)N(CCNc1ncnc2nc(Nc3cnccn3)[nH]c12)C(C)C.
What is the InChIKey of 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine?
The InChIKey is JLJOPURWXGBZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N9/c1-11(2)26(12(3)4)8-7-20-15-14-16(22-10-21-15)25-17(24-14)23-13-9-18-5-6-19-13/h5-6,9-12H,7-8H2,1-4H3,(H3,19,20,21,22,23,24,25).
What are the key properties of 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine?
6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine has a molecular weight of 355.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine is sourced from PubChem (CID 117084752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).