5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

C22H22N8O — CID 44600928

IUPAC5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESNc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2Cc3ccccc3C2)cn1
InChIInChI=1S/C22H22N8O/c23-18-12-24-17(11-25-18)19-20-21(28-22(27-19)29-5-7-31-8-6-29)30(13-26-20)16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16H,5-10H2,(H2,23,25)
InChIKeyLDLVPYHMXFWCLA-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.04
Rot. Bonds3

About 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (PubChem CID 44600928) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
PubChem CID44600928
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESNc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2Cc3ccccc3C2)cn1
InChIInChI=1S/C22H22N8O/c23-18-12-24-17(11-25-18)19-20-21(28-22(27-19)29-5-7-31-8-6-29)30(13-26-20)16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16H,5-10H2,(H2,23,25)
InChIKeyLDLVPYHMXFWCLA-UHFFFAOYSA-N
XLogP2.04
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (CID 44600928) is 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2Cc3ccccc3C2)cn1.
What is the InChIKey of 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The InChIKey is LDLVPYHMXFWCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c23-18-12-24-17(11-25-18)19-20-21(28-22(27-19)29-5-7-31-8-6-29)30(13-26-20)16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16H,5-10H2,(H2,23,25).
What are the key properties of 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 44600928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).