4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine

C16H22ClN5O2 — CID 141233569

IUPAC4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2ncn(CCC3CCCCO3)c2n1
InChIInChI=1S/C16H22ClN5O2/c17-16-19-14(21-6-9-23-10-7-21)13-15(20-16)22(11-18-13)5-4-12-3-1-2-8-24-12/h11-12H,1-10H2
InChIKeyAGPDIKNHSFPXIS-UHFFFAOYSA-N
MW351.84 g/mol
LogP2.28
Rot. Bonds4

About 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine

4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine (PubChem CID 141233569) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
PubChem CID141233569
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2ncn(CCC3CCCCO3)c2n1
InChIInChI=1S/C16H22ClN5O2/c17-16-19-14(21-6-9-23-10-7-21)13-15(20-16)22(11-18-13)5-4-12-3-1-2-8-24-12/h11-12H,1-10H2
InChIKeyAGPDIKNHSFPXIS-UHFFFAOYSA-N
XLogP2.28
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine
CID 129405521
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
1-(2-chloro-9-ethylpurin-6-yl)piperidin-4-ol
CID 168921173
4-[2-fluoro-9-(oxan-2-yl)purin-6-yl]morpholine
CID 123229043
4-[2-chloro-9-(oxan-2-yl)-8-[(3-piperazin-1-ylazetidin-1-yl)methyl]purin-6-yl]morpholine
CID 150914174
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
CID 54312779
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
CID 24904110
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine?
The IUPAC name of 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine (CID 141233569) is 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine?
The canonical SMILES for 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine is Clc1nc(N2CCOCC2)c2ncn(CCC3CCCCO3)c2n1.
What is the InChIKey of 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine?
The InChIKey is AGPDIKNHSFPXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c17-16-19-14(21-6-9-23-10-7-21)13-15(20-16)22(11-18-13)5-4-12-3-1-2-8-24-12/h11-12H,1-10H2.
What are the key properties of 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine?
4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine has a molecular weight of 351.84 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine is sourced from PubChem (CID 141233569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).