4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol

C20H22N8O — CID 117082206

IUPAC4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(Nc3cnccn3)nc21
InChIInChI=1S/C20H22N8O/c1-13(2)28-12-24-17-18(23-8-7-14-3-5-15(29)6-4-14)26-20(27-19(17)28)25-16-11-21-9-10-22-16/h3-6,9-13,29H,7-8H2,1-2H3,(H2,22,23,25,26,27)
InChIKeyAHRDJVWQDQIREF-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.30
Rot. Bonds7

About 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol

4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol (PubChem CID 117082206) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol
PubChem CID117082206
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(Nc3cnccn3)nc21
InChIInChI=1S/C20H22N8O/c1-13(2)28-12-24-17-18(23-8-7-14-3-5-15(29)6-4-14)26-20(27-19(17)28)25-16-11-21-9-10-22-16/h3-6,9-13,29H,7-8H2,1-2H3,(H2,22,23,25,26,27)
InChIKeyAHRDJVWQDQIREF-UHFFFAOYSA-N
XLogP3.30
TPSA113.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 46215177
4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol
CID 59408942
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080623
4-[2-[[2-(4,5-dimethylimidazol-1-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 59408909
6-N-[2-[di(propan-2-yl)amino]ethyl]-9-propan-2-yl-2-N-pyrimidin-4-ylpurine-2,6-diamine
CID 117079677
4-[2-[[9-phenyl-2-(pyrimidin-4-ylamino)purin-6-yl]amino]ethyl]phenol
CID 117086418
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117083225
6-N-(1,3-benzodioxol-5-yl)-9-propan-2-yl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117081222
6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117083902
2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol
CID 59408945
N-[4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenyl]methanesulfonamide
CID 59408944
6-N-[(4-methoxyphenyl)methyl]-2-N-(2-phenylethyl)-9-propan-2-ylpurine-2,6-diamine
CID 11144193

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol (CID 117082206) is 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol is CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(Nc3cnccn3)nc21.
What is the InChIKey of 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol?
The InChIKey is AHRDJVWQDQIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-13(2)28-12-24-17-18(23-8-7-14-3-5-15(29)6-4-14)26-20(27-19(17)28)25-16-11-21-9-10-22-16/h3-6,9-13,29H,7-8H2,1-2H3,(H2,22,23,25,26,27).
What are the key properties of 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol?
4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol has a molecular weight of 390.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 117082206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).