4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine

C15H22N6O — CID 167824678

IUPAC4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
SMILESCCn1cnc2c(N3CCOCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C15H22N6O/c1-2-19-11-16-12-13(19)17-15(21-5-3-4-6-21)18-14(12)20-7-9-22-10-8-20/h11H,2-10H2,1H3
InChIKeySUPQNYBLDAMGLT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.28
Rot. Bonds3

About 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine

4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine (PubChem CID 167824678) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
PubChem CID167824678
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
SMILESCCn1cnc2c(N3CCOCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C15H22N6O/c1-2-19-11-16-12-13(19)17-15(21-5-3-4-6-21)18-14(12)20-7-9-22-10-8-20/h11H,2-10H2,1H3
InChIKeySUPQNYBLDAMGLT-UHFFFAOYSA-N
XLogP1.28
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine
CID 15366661
9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine
CID 166396031
4-[9-ethyl-2-(6-methoxy-3-pyridinyl)purin-6-yl]morpholine
CID 123266985
7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide
CID 118374559
9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
CID 15016744
2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908
1-(2-chloro-9-ethylpurin-6-yl)piperidin-4-ol
CID 168921173
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224

Frequently Asked Questions

What is the IUPAC name of 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine?
The IUPAC name of 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine (CID 167824678) is 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine.
What is the SMILES notation for 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine?
The canonical SMILES for 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine is CCn1cnc2c(N3CCOCC3)nc(N3CCCC3)nc21.
What is the InChIKey of 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine?
The InChIKey is SUPQNYBLDAMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-19-11-16-12-13(19)17-15(21-5-3-4-6-21)18-14(12)20-7-9-22-10-8-20/h11H,2-10H2,1H3.
What are the key properties of 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine?
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine has a molecular weight of 302.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine is sourced from PubChem (CID 167824678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).