1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol

C21H22N8O2 — CID 67221249

IUPAC1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
SMILESCC(O)c1ccccc1-n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C21H22N8O2/c1-13(30)15-4-2-3-5-16(15)29-12-25-18-17(14-10-23-20(22)24-11-14)26-21(27-19(18)29)28-6-8-31-9-7-28/h2-5,10-13,30H,6-9H2,1H3,(H2,22,23,24)
InChIKeyRWWXSBOJVZGYOM-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol

1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol (PubChem CID 67221249) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
PubChem CID67221249
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
SMILESCC(O)c1ccccc1-n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C21H22N8O2/c1-13(30)15-4-2-3-5-16(15)29-12-25-18-17(14-10-23-20(22)24-11-14)26-21(27-19(18)29)28-6-8-31-9-7-28/h2-5,10-13,30H,6-9H2,1H3,(H2,22,23,24)
InChIKeyRWWXSBOJVZGYOM-UHFFFAOYSA-N
XLogP1.74
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
(2S)-2-amino-1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]propan-1-one
CID 58285310
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
CID 46937823
5-[9-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine
CID 143785492
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 58285342
[(2S)-1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl] acetate
CID 58285255
5-[8-methyl-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
CID 25256167
tert-butyl 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate
CID 25255762

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol?
The IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol (CID 67221249) is 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol?
The canonical SMILES for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol is CC(O)c1ccccc1-n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol?
The InChIKey is RWWXSBOJVZGYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-13(30)15-4-2-3-5-16(15)29-12-25-18-17(14-10-23-20(22)24-11-14)26-21(27-19(18)29)28-6-8-31-9-7-28/h2-5,10-13,30H,6-9H2,1H3,(H2,22,23,24).
What are the key properties of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol?
1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol has a molecular weight of 418.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol is sourced from PubChem (CID 67221249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).