4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine

C20H22F2N6O2 — CID 15366661

IUPAC4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine
SMILESFc1cccc(Cn2cnc3c(N4CCOCC4)nc(N4CCOCC4)nc32)c1F
InChIInChI=1S/C20H22F2N6O2/c21-15-3-1-2-14(16(15)22)12-28-13-23-17-18(26-4-8-29-9-5-26)24-20(25-19(17)28)27-6-10-30-11-7-27/h1-3,13H,4-12H2
InChIKeyNQWVUHPXYJJJDI-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.83
Rot. Bonds4

About 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine

4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine (PubChem CID 15366661) has the molecular formula C20H22F2N6O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine
PubChem CID15366661
Molecular FormulaC20H22F2N6O2
Molecular Weight416.43 g/mol
Exact Mass416.18
IUPAC Name4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine
SMILESFc1cccc(Cn2cnc3c(N4CCOCC4)nc(N4CCOCC4)nc32)c1F
InChIInChI=1S/C20H22F2N6O2/c21-15-3-1-2-14(16(15)22)12-28-13-23-17-18(26-4-8-29-9-5-26)24-20(25-19(17)28)27-6-10-30-11-7-27/h1-3,13H,4-12H2
InChIKeyNQWVUHPXYJJJDI-UHFFFAOYSA-N
XLogP1.83
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine with MolForge

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Related Compounds

4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine
CID 58285266
2-[6-[3-(3-fluorophenyl)pyrazol-1-yl]-2-morpholin-4-ylpurin-9-yl]-1-pyridin-2-ylethanone
CID 170724659
N-cyclopropyl-2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117079689
2-morpholin-4-yl-N-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117084514
9-[2-(3-chlorophenyl)ethyl]-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-ylpurin-6-amine
CID 78333458
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551

Frequently Asked Questions

What is the IUPAC name of 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine (CID 15366661) is 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine is Fc1cccc(Cn2cnc3c(N4CCOCC4)nc(N4CCOCC4)nc32)c1F.
What is the InChIKey of 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine?
The InChIKey is NQWVUHPXYJJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2/c21-15-3-1-2-14(16(15)22)12-28-13-23-17-18(26-4-8-29-9-5-26)24-20(25-19(17)28)27-6-10-30-11-7-27/h1-3,13H,4-12H2.
What are the key properties of 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine?
4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine has a molecular weight of 416.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 15366661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).