8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C20H28ClN7O2 — CID 58439160

IUPAC8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCCn1c(CN2CCC3(CCNC3=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C20H28ClN7O2/c1-2-28-14(13-26-7-4-20(5-8-26)3-6-22-18(20)29)23-15-16(24-19(21)25-17(15)28)27-9-11-30-12-10-27/h2-13H2,1H3,(H,22,29)
InChIKeyJUOAZHQXQUVSRF-UHFFFAOYSA-N
MW433.94 g/mol
LogP1.44
Rot. Bonds4

About 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one

8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 58439160) has the molecular formula C20H28ClN7O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID58439160
Molecular FormulaC20H28ClN7O2
Molecular Weight433.94 g/mol
Exact Mass433.20
IUPAC Name8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCCn1c(CN2CCC3(CCNC3=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C20H28ClN7O2/c1-2-28-14(13-26-7-4-20(5-8-26)3-6-22-18(20)29)23-15-16(24-19(21)25-17(15)28)27-9-11-30-12-10-27/h2-13H2,1H3,(H,22,29)
InChIKeyJUOAZHQXQUVSRF-UHFFFAOYSA-N
XLogP1.44
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 58439160) is 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is CCn1c(CN2CCC3(CCNC3=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21.
What is the InChIKey of 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JUOAZHQXQUVSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN7O2/c1-2-28-14(13-26-7-4-20(5-8-26)3-6-22-18(20)29)23-15-16(24-19(21)25-17(15)28)27-9-11-30-12-10-27/h2-13H2,1H3,(H,22,29).
What are the key properties of 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 433.94 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58439160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).