4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine

C15H21ClN6O2 — CID 168921312

IUPAC4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
SMILESCCn1c(N2CCOCC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C15H21ClN6O2/c1-2-22-13-11(17-15(22)21-5-9-24-10-6-21)12(18-14(16)19-13)20-3-7-23-8-4-20/h2-10H2,1H3
InChIKeyASMOARVFDVJZOO-UHFFFAOYSA-N
MW352.83 g/mol
LogP1.17
Rot. Bonds3

About 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine

4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine (PubChem CID 168921312) has the molecular formula C15H21ClN6O2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
PubChem CID168921312
Molecular FormulaC15H21ClN6O2
Molecular Weight352.83 g/mol
Exact Mass352.14
IUPAC Name4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
SMILESCCn1c(N2CCOCC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C15H21ClN6O2/c1-2-22-13-11(17-15(22)21-5-9-24-10-6-21)12(18-14(16)19-13)20-3-7-23-8-4-20/h2-10H2,1H3
InChIKeyASMOARVFDVJZOO-UHFFFAOYSA-N
XLogP1.17
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine?
The IUPAC name of 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine (CID 168921312) is 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine?
The canonical SMILES for 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine is CCn1c(N2CCOCC2)nc2c(N3CCOCC3)nc(Cl)nc21.
What is the InChIKey of 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine?
The InChIKey is ASMOARVFDVJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O2/c1-2-22-13-11(17-15(22)21-5-9-24-10-6-21)12(18-14(16)19-13)20-3-7-23-8-4-20/h2-10H2,1H3.
What are the key properties of 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine?
4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine has a molecular weight of 352.83 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine is sourced from PubChem (CID 168921312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).