6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

C22H29N7O2 — CID 68753572

IUPAC6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H29N7O2/c1-30-18-13-16(29-9-11-31-12-10-29)7-8-17(18)26-22-27-20-19(23-14-24-20)21(28-22)25-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyPSRBWLWUPONHPY-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.69
Rot. Bonds6

About 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine (PubChem CID 68753572) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
PubChem CID68753572
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H29N7O2/c1-30-18-13-16(29-9-11-31-12-10-29)7-8-17(18)26-22-27-20-19(23-14-24-20)21(28-22)25-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyPSRBWLWUPONHPY-UHFFFAOYSA-N
XLogP3.69
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine (CID 68753572) is 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine is COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?
The InChIKey is PSRBWLWUPONHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-30-18-13-16(29-9-11-31-12-10-29)7-8-17(18)26-22-27-20-19(23-14-24-20)21(28-22)25-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine has a molecular weight of 423.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 68753572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).