4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine

C23H22ClN5O — CID 132502926

IUPAC4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C23H22ClN5O/c1-16-27-21-22(28-10-12-30-13-11-28)25-15-26-23(21)29(16)14-17-6-8-18(9-7-17)19-4-2-3-5-20(19)24/h2-9,15H,10-14H2,1H3
InChIKeyLXEAGQVPBQZDJP-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.34
Rot. Bonds4

About 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine

4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine (PubChem CID 132502926) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine
PubChem CID132502926
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C23H22ClN5O/c1-16-27-21-22(28-10-12-30-13-11-28)25-15-26-23(21)29(16)14-17-6-8-18(9-7-17)19-4-2-3-5-20(19)24/h2-9,15H,10-14H2,1H3
InChIKeyLXEAGQVPBQZDJP-UHFFFAOYSA-N
XLogP4.34
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine (CID 132502926) is 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine is Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine?
The InChIKey is LXEAGQVPBQZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-16-27-21-22(28-10-12-30-13-11-28)25-15-26-23(21)29(16)14-17-6-8-18(9-7-17)19-4-2-3-5-20(19)24/h2-9,15H,10-14H2,1H3.
What are the key properties of 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine?
4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine has a molecular weight of 419.92 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[[4-(2-chlorophenyl)phenyl]methyl]-8-methylpurin-6-yl]morpholine is sourced from PubChem (CID 132502926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).