(2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol

C18H20FN5O3 — CID 97213742

IUPAC(2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(F)cc1)Cn1cnc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C18H20FN5O3/c19-13-1-3-15(4-2-13)27-10-14(25)9-24-12-22-16-17(20-11-21-18(16)24)23-5-7-26-8-6-23/h1-4,11-12,14,25H,5-10H2/t14-/m1/s1
InChIKeyOREJANRAANNMKQ-CQSZACIVSA-N
MW373.39 g/mol
LogP1.24
Rot. Bonds6

About (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol

(2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol (PubChem CID 97213742) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol
PubChem CID97213742
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name(2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(F)cc1)Cn1cnc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C18H20FN5O3/c19-13-1-3-15(4-2-13)27-10-14(25)9-24-12-22-16-17(20-11-21-18(16)24)23-5-7-26-8-6-23/h1-4,11-12,14,25H,5-10H2/t14-/m1/s1
InChIKeyOREJANRAANNMKQ-CQSZACIVSA-N
XLogP1.24
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol (CID 97213742) is (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol is O[C@@H](COc1ccc(F)cc1)Cn1cnc2c(N3CCOCC3)ncnc21.
What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol?
The InChIKey is OREJANRAANNMKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FN5O3/c19-13-1-3-15(4-2-13)27-10-14(25)9-24-12-22-16-17(20-11-21-18(16)24)23-5-7-26-8-6-23/h1-4,11-12,14,25H,5-10H2/t14-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol?
(2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol has a molecular weight of 373.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol is sourced from PubChem (CID 97213742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).