6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine

C22H28N6O2 — CID 46927371

IUPAC6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine
SMILESCc1cc(N2CCOCC2)ccc1Nc1nc(OC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H28N6O2/c1-15-13-16(28-9-11-29-12-10-28)7-8-18(15)25-22-26-20-19(23-14-24-20)21(27-22)30-17-5-3-2-4-6-17/h7-8,13-14,17H,2-6,9-12H2,1H3,(H2,23,24,25,26,27)
InChIKeySDVALMAMGSVDFJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.95
Rot. Bonds5

About 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine

6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine (PubChem CID 46927371) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine
PubChem CID46927371
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine
SMILESCc1cc(N2CCOCC2)ccc1Nc1nc(OC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H28N6O2/c1-15-13-16(28-9-11-29-12-10-28)7-8-18(15)25-22-26-20-19(23-14-24-20)21(27-22)30-17-5-3-2-4-6-17/h7-8,13-14,17H,2-6,9-12H2,1H3,(H2,23,24,25,26,27)
InChIKeySDVALMAMGSVDFJ-UHFFFAOYSA-N
XLogP3.95
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine?
The IUPAC name of 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine (CID 46927371) is 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine?
The canonical SMILES for 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine is Cc1cc(N2CCOCC2)ccc1Nc1nc(OC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine?
The InChIKey is SDVALMAMGSVDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-15-13-16(28-9-11-29-12-10-28)7-8-18(15)25-22-26-20-19(23-14-24-20)21(27-22)30-17-5-3-2-4-6-17/h7-8,13-14,17H,2-6,9-12H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine?
6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine has a molecular weight of 408.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purin-2-amine is sourced from PubChem (CID 46927371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).