9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine

C15H19N7O — CID 138008276

IUPAC9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine
SMILESCCn1cnc2c(N3CC(OC)(c4ccnn4C)C3)ncnc21
InChIInChI=1S/C15H19N7O/c1-4-21-10-18-12-13(21)16-9-17-14(12)22-7-15(8-22,23-3)11-5-6-19-20(11)2/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyKEJPVVOTUNPAMJ-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.94
Rot. Bonds4

About 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine

9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine (PubChem CID 138008276) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine.

Molecular Properties

Compound Name9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine
PubChem CID138008276
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine
SMILESCCn1cnc2c(N3CC(OC)(c4ccnn4C)C3)ncnc21
InChIInChI=1S/C15H19N7O/c1-4-21-10-18-12-13(21)16-9-17-14(12)22-7-15(8-22,23-3)11-5-6-19-20(11)2/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyKEJPVVOTUNPAMJ-UHFFFAOYSA-N
XLogP0.94
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 167964227
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine
CID 124886979
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
CID 166601592
9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
CID 165433645
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 155981248
9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
9-ethyl-6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]purine
CID 171997251
9-ethyl-6-(5-methylfuran-2-yl)purine
CID 121008594
7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163345037
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 163345167

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine?
The IUPAC name of 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine (CID 138008276) is 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine.
What is the SMILES notation for 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine?
The canonical SMILES for 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine is CCn1cnc2c(N3CC(OC)(c4ccnn4C)C3)ncnc21.
What is the InChIKey of 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine?
The InChIKey is KEJPVVOTUNPAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-4-21-10-18-12-13(21)16-9-17-14(12)22-7-15(8-22,23-3)11-5-6-19-20(11)2/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine?
9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine has a molecular weight of 313.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine is sourced from PubChem (CID 138008276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).