6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine

C17H20N6 — CID 124886979

IUPAC6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine
SMILESCCn1cnc2c(N3CC(C)(C)[C@@H]3c3cccnc3)ncnc21
InChIInChI=1S/C17H20N6/c1-4-22-11-21-13-15(22)19-10-20-16(13)23-9-17(2,3)14(23)12-6-5-7-18-8-12/h5-8,10-11,14H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyANLGFUIUYOCIGT-AWEZNQCLSA-N
MW308.39 g/mol
LogP2.83
Rot. Bonds3

About 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine

6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine (PubChem CID 124886979) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine.

Molecular Properties

Compound Name6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine
PubChem CID124886979
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine
SMILESCCn1cnc2c(N3CC(C)(C)[C@@H]3c3cccnc3)ncnc21
InChIInChI=1S/C17H20N6/c1-4-22-11-21-13-15(22)19-10-20-16(13)23-9-17(2,3)14(23)12-6-5-7-18-8-12/h5-8,10-11,14H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyANLGFUIUYOCIGT-AWEZNQCLSA-N
XLogP2.83
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine?
The IUPAC name of 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine (CID 124886979) is 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine.
What is the SMILES notation for 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine?
The canonical SMILES for 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine is CCn1cnc2c(N3CC(C)(C)[C@@H]3c3cccnc3)ncnc21.
What is the InChIKey of 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine?
The InChIKey is ANLGFUIUYOCIGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6/c1-4-22-11-21-13-15(22)19-10-20-16(13)23-9-17(2,3)14(23)12-6-5-7-18-8-12/h5-8,10-11,14H,4,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine?
6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine has a molecular weight of 308.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine is sourced from PubChem (CID 124886979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).