2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol

C21H21FN6O — CID 151351196

IUPAC2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccccc3O)nc(-c3cncc(F)c3)nc21
InChIInChI=1S/C21H21FN6O/c1-13(2)28-12-25-18-20(24-8-7-14-5-3-4-6-17(14)29)26-19(27-21(18)28)15-9-16(22)11-23-10-15/h3-6,9-13,29H,7-8H2,1-2H3,(H,24,26,27)
InChIKeyOMNKFCSQXJFITM-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.97
Rot. Bonds6

About 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol

2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol (PubChem CID 151351196) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
PubChem CID151351196
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccccc3O)nc(-c3cncc(F)c3)nc21
InChIInChI=1S/C21H21FN6O/c1-13(2)28-12-25-18-20(24-8-7-14-5-3-4-6-17(14)29)26-19(27-21(18)28)15-9-16(22)11-23-10-15/h3-6,9-13,29H,7-8H2,1-2H3,(H,24,26,27)
InChIKeyOMNKFCSQXJFITM-UHFFFAOYSA-N
XLogP3.97
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol with MolForge

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Related Compounds

RP107
CID 448912
Olomoucine Ii
CID 5494414
3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(propan-2-yl)-9H-purin-6-yl}amino)methyl]phenol
CID 10339994
3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
2-(6-morpholino-9H-purin-2-yl)phenol
CID 135955185
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
2-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(propan-2-yl)-9H-purin-6-yl}amino)methyl]phenol
CID 10362606
Antiproliferative agent-14
CID 86280647

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
The IUPAC name of 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol (CID 151351196) is 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol is CC(C)n1cnc2c(NCCc3ccccc3O)nc(-c3cncc(F)c3)nc21.
What is the InChIKey of 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
The InChIKey is OMNKFCSQXJFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-13(2)28-12-25-18-20(24-8-7-14-5-3-4-6-17(14)29)26-19(27-21(18)28)15-9-16(22)11-23-10-15/h3-6,9-13,29H,7-8H2,1-2H3,(H,24,26,27).
What are the key properties of 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol has a molecular weight of 392.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 151351196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).