5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine

C23H28N8O — CID 123967715

IUPAC5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine
SMILESCC(C1CCCC1)n1cnc2c(-c3cnc(N)cn3)nc(N3CC4(C)CC5C(O4)C53)nc21
InChIInChI=1S/C23H28N8O/c1-12(13-5-3-4-6-13)31-11-27-18-17(15-8-26-16(24)9-25-15)28-22(29-21(18)31)30-10-23(2)7-14-19(30)20(14)32-23/h8-9,11-14,19-20H,3-7,10H2,1-2H3,(H2,24,26)
InChIKeyIZEQLQGARFCKFA-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.98
Rot. Bonds4

About 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine

5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine (PubChem CID 123967715) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine
PubChem CID123967715
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine
SMILESCC(C1CCCC1)n1cnc2c(-c3cnc(N)cn3)nc(N3CC4(C)CC5C(O4)C53)nc21
InChIInChI=1S/C23H28N8O/c1-12(13-5-3-4-6-13)31-11-27-18-17(15-8-26-16(24)9-25-15)28-22(29-21(18)31)30-10-23(2)7-14-19(30)20(14)32-23/h8-9,11-14,19-20H,3-7,10H2,1-2H3,(H2,24,26)
InChIKeyIZEQLQGARFCKFA-UHFFFAOYSA-N
XLogP2.98
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine (CID 123967715) is 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine is CC(C1CCCC1)n1cnc2c(-c3cnc(N)cn3)nc(N3CC4(C)CC5C(O4)C53)nc21.
What is the InChIKey of 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine?
The InChIKey is IZEQLQGARFCKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-12(13-5-3-4-6-13)31-11-27-18-17(15-8-26-16(24)9-25-15)28-22(29-21(18)31)30-10-23(2)7-14-19(30)20(14)32-23/h8-9,11-14,19-20H,3-7,10H2,1-2H3,(H2,24,26).
What are the key properties of 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine?
5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine has a molecular weight of 432.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 123967715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).