6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine

C22H26F3N7O2 — CID 69181574

IUPAC6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine
SMILESFC(F)(F)Oc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H26F3N7O2/c23-22(24,25)34-17-12-15(32-8-10-33-11-9-32)6-7-16(17)29-21-30-19-18(26-13-27-19)20(31-21)28-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H3,26,27,28,29,30,31)
InChIKeyRFBREXVCOQWZBN-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.58
Rot. Bonds6

About 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine (PubChem CID 69181574) has the molecular formula C22H26F3N7O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine
PubChem CID69181574
Molecular FormulaC22H26F3N7O2
Molecular Weight477.49 g/mol
Exact Mass477.21
IUPAC Name6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine
SMILESFC(F)(F)Oc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H26F3N7O2/c23-22(24,25)34-17-12-15(32-8-10-33-11-9-32)6-7-16(17)29-21-30-19-18(26-13-27-19)20(31-21)28-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H3,26,27,28,29,30,31)
InChIKeyRFBREXVCOQWZBN-UHFFFAOYSA-N
XLogP4.58
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

7H-Adenine, N-(o-methoxyphenyl)-
CID 52000
Anisiflupurin
CID 25169483
Mps1-IN-3
CID 91885443
Nvp-abj688
CID 5288618
N-(3-methoxyphenyl)-9H-purin-6-amine
CID 670977
6-N-cyclohexyl-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 46927301
N6-cyclohexyl-N2-(2-methoxy-4-piperazin-1-yl-phenyl)-9H-purine-2,6-diamine
CID 68452965
6-N-cyclohexyl-2-N-[2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine
CID 69180122
6-[4-(4-methoxyphenyl)piperazin-1-yl]-7H-purine
CID 756705
6-(cyclohexylmethoxy)-N-(3-methoxyphenyl)-9H-purin-2-amine
CID 5329556
2-(trifluoromethyl)-7-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)ethoxy)-1H-benzo[d]imidazole
CID 44560995
PI3K-IN-54
CID 56589559

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine (CID 69181574) is 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine is FC(F)(F)Oc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine?
The InChIKey is RFBREXVCOQWZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O2/c23-22(24,25)34-17-12-15(32-8-10-33-11-9-32)6-7-16(17)29-21-30-19-18(26-13-27-19)20(31-21)28-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H3,26,27,28,29,30,31).
What are the key properties of 6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine has a molecular weight of 477.49 g/mol, XLogP of 4.58, 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-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 69181574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).