6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine

C25H35N9O — CID 68751584

IUPAC6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine
SMILESc1nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc(NC3CCCCC3)c2[nH]1
InChIInChI=1S/C25H35N9O/c1-2-4-18(5-3-1)29-24-22-23(28-17-27-22)31-25(32-24)30-21-7-6-20(16-26-21)33-10-8-19(9-11-33)34-12-14-35-15-13-34/h6-7,16-19H,1-5,8-15H2,(H3,26,27,28,29,30,31,32)
InChIKeyJJPIVIXODHCQTC-UHFFFAOYSA-N
MW477.62 g/mol
LogP3.54
Rot. Bonds6

About 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine (PubChem CID 68751584) has the molecular formula C25H35N9O and a molecular weight of 477.62 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine
PubChem CID68751584
Molecular FormulaC25H35N9O
Molecular Weight477.62 g/mol
Exact Mass477.30
IUPAC Name6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine
SMILESc1nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc(NC3CCCCC3)c2[nH]1
InChIInChI=1S/C25H35N9O/c1-2-4-18(5-3-1)29-24-22-23(28-17-27-22)31-25(32-24)30-21-7-6-20(16-26-21)33-10-8-19(9-11-33)34-12-14-35-15-13-34/h6-7,16-19H,1-5,8-15H2,(H3,26,27,28,29,30,31,32)
InChIKeyJJPIVIXODHCQTC-UHFFFAOYSA-N
XLogP3.54
TPSA107.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.62
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine (CID 68751584) is 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine is c1nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc(NC3CCCCC3)c2[nH]1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine?
The InChIKey is JJPIVIXODHCQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O/c1-2-4-18(5-3-1)29-24-22-23(28-17-27-22)31-25(32-24)30-21-7-6-20(16-26-21)33-10-8-19(9-11-33)34-12-14-35-15-13-34/h6-7,16-19H,1-5,8-15H2,(H3,26,27,28,29,30,31,32).
What are the key properties of 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine has a molecular weight of 477.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 68751584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).