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

C22H30N8O — CID 69264601

IUPAC6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESCc1nc(CN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H30N8O/c1-15-18(8-7-17(25-15)13-30-9-11-31-12-10-30)27-22-28-20-19(23-14-24-20)21(29-22)26-16-5-3-2-4-6-16/h7-8,14,16H,2-6,9-13H2,1H3,(H3,23,24,26,27,28,29)
InChIKeyQGNPAHJXDWBFDL-UHFFFAOYSA-N
MW422.54 g/mol
LogP3.38
Rot. Bonds6

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

6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine (PubChem CID 69264601) has the molecular formula C22H30N8O and a molecular weight of 422.54 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine
PubChem CID69264601
Molecular FormulaC22H30N8O
Molecular Weight422.54 g/mol
Exact Mass422.25
IUPAC Name6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESCc1nc(CN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C22H30N8O/c1-15-18(8-7-17(25-15)13-30-9-11-31-12-10-30)27-22-28-20-19(23-14-24-20)21(29-22)26-16-5-3-2-4-6-16/h7-8,14,16H,2-6,9-13H2,1H3,(H3,23,24,26,27,28,29)
InChIKeyQGNPAHJXDWBFDL-UHFFFAOYSA-N
XLogP3.38
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 53.38
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-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine (CID 69264601) is 6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine is Cc1nc(CN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The InChIKey is QGNPAHJXDWBFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O/c1-15-18(8-7-17(25-15)13-30-9-11-31-12-10-30)27-22-28-20-19(23-14-24-20)21(29-22)26-16-5-3-2-4-6-16/h7-8,14,16H,2-6,9-13H2,1H3,(H3,23,24,26,27,28,29).
What are the key properties of 6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[2-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine has a molecular weight of 422.54 g/mol, XLogP of 3.38, 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-methyl-6-(morpholin-4-ylmethyl)-3-pyridinyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 69264601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).