6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine

C24H34N8O — CID 68753310

IUPAC6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESCc1nc(CCCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C24H34N8O/c1-17-20(10-9-19(27-17)8-5-11-32-12-14-33-15-13-32)29-24-30-22-21(25-16-26-22)23(31-24)28-18-6-3-2-4-7-18/h9-10,16,18H,2-8,11-15H2,1H3,(H3,25,26,28,29,30,31)
InChIKeyYYKXNTZKBNCBPT-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.81
Rot. Bonds8

About 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine (PubChem CID 68753310) has the molecular formula C24H34N8O and a molecular weight of 450.59 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine
PubChem CID68753310
Molecular FormulaC24H34N8O
Molecular Weight450.59 g/mol
Exact Mass450.29
IUPAC Name6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESCc1nc(CCCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C24H34N8O/c1-17-20(10-9-19(27-17)8-5-11-32-12-14-33-15-13-32)29-24-30-22-21(25-16-26-22)23(31-24)28-18-6-3-2-4-7-18/h9-10,16,18H,2-8,11-15H2,1H3,(H3,25,26,28,29,30,31)
InChIKeyYYKXNTZKBNCBPT-UHFFFAOYSA-N
XLogP3.81
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.81
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-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine (CID 68753310) is 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine is Cc1nc(CCCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The InChIKey is YYKXNTZKBNCBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O/c1-17-20(10-9-19(27-17)8-5-11-32-12-14-33-15-13-32)29-24-30-22-21(25-16-26-22)23(31-24)28-18-6-3-2-4-7-18/h9-10,16,18H,2-8,11-15H2,1H3,(H3,25,26,28,29,30,31).
What are the key properties of 6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[2-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine has a molecular weight of 450.59 g/mol, XLogP of 3.81, 8 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-methyl-6-(3-morpholin-4-ylpropyl)-3-pyridinyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 68753310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).