2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one

C18H24N8O — CID 72938766

IUPAC2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H24N8O/c1-12(2)16-19-4-5-26(16)13(3)18(27)25-8-6-24(7-9-25)17-14-15(21-10-20-14)22-11-23-17/h4-5,10-13H,6-9H2,1-3H3,(H,20,21,22,23)
InChIKeyQDZOYXANQJGYQT-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one

2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one (PubChem CID 72938766) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
PubChem CID72938766
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H24N8O/c1-12(2)16-19-4-5-26(16)13(3)18(27)25-8-6-24(7-9-25)17-14-15(21-10-20-14)22-11-23-17/h4-5,10-13H,6-9H2,1-3H3,(H,20,21,22,23)
InChIKeyQDZOYXANQJGYQT-UHFFFAOYSA-N
XLogP1.58
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one (CID 72938766) is 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one is CC(C)c1nccn1C(C)C(=O)N1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
The InChIKey is QDZOYXANQJGYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-12(2)16-19-4-5-26(16)13(3)18(27)25-8-6-24(7-9-25)17-14-15(21-10-20-14)22-11-23-17/h4-5,10-13H,6-9H2,1-3H3,(H,20,21,22,23).
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one has a molecular weight of 368.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 72938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).